Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16611478

CCCCCCCCC=CCCCCCCCC(=O)OC(CN(C)C)OC(=O)CCCCCCCC=CCCCCCCCC.Cl

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA known ✓ P17252 2/20 0.54
PRKCE known ✓ Q02156 1/20 0.54
PRKCQ known ✓ Q04759 1/20 0.54
PRKCD known ✓ Q05655 1/20 0.54
PPARG known ✓ P37231 2/20 0.49
CHRM1 known ✓ P11229 1/20 0.49
TOP1 known ✓ P11387 1/20 0.49
CYP19A1 known ✓ P11511 1/20 0.49
PTGS1 known ✓ P23219 1/20 0.49
SLC6A2 known ✓ P23975 1/20 0.49
FLT3 known ✓ P36888 1/20 0.49
KCNH2 known ✓ Q12809 1/20 0.49
FAAH O00519 3/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
DGKA P23743 1/20 0.50
SLC6A5 Q9Y345 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL28400968 0.91 LMNA (0.58) PRKCAPRKCEPRKCQPRKCDMAPT
Hydrochloric Acid SCHEMBL16611504 0.91 LMNA (0.58) PRKCAPRKCEPRKCQPRKCDMAPT
Hydrochloric Acid SCHEMBL8331677 0.91 LMNA (0.58) PRKCAPRKCEPRKCQPRKCDMAPT
SCHEMBL6220960 0.89 LMNA (0.59) PRKCAPRKCEPRKCQPRKCDMAPT
Trimethylammonium SCHEMBL25269827 0.87 PRKCA (0.56) PRKCAPRKCEPRKCQPRKCDFAAH
SCHEMBL4451845 0.87 PRKCA (0.56) PRKCAPRKCEPRKCQPRKCDFAAH
SCHEMBL4458170 0.87 PRKCA (0.56) PRKCAPRKCEPRKCQPRKCDFAAH
Hydrochloric Acid SCHEMBL5376077 0.86 PRKCA (0.52) PRKCAPRKCEPRKCQPRKCDFAAH
SCHEMBL465985 0.86 PRKCA (0.54) PRKCAPRKCEPRKCQPRKCDFAAH
SCHEMBL992184 0.86 PRKCA (0.54) PRKCAPRKCEPRKCQPRKCDFAAH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3279300-B1 FRAGRANCE COMPOSITION KAO CORP (JP) 2019-03-27 EP disclosed
EP-3279300-A1 FRAGRANCE COMPOSITION KAO CORPORATION (JP) 2018-02-07 EP disclosed
EP-2857482-B1 PERFUME COMPOSITION KAO CORP (JP) 2017-10-11 EP disclosed
US-9567550-B2 Fragrance composition KAO CORPORATION (JP) 2017-02-14 US disclosed
US-20160376521-A1 PERFUME COMPOSITION KAO CORPORATION (JP) 2016-12-29 US disclosed
US-20160326457-A1 ESTER KAO CORPORATION (JP) 2016-11-10 US disclosed
EP-3075822-A1 PERFUME COMPOSITION Kao Corporation (JP) 2016-10-05 EP disclosed
EP-3072877-A1 ESTER Kao Corporation (JP) 2016-09-28 EP disclosed
US-20150118174-A1 FRAGRANCE COMPOSITION KAO CORPORATION (JP) 2015-04-30 US disclosed
EP-2857482-A1 PERFUME COMPOSITION Kao Corporation (JP) 2015-04-08 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150118174-A1 FRAGRANCE COMPOSITION FAAH2, FAAH, DACH1 PRKCA 4084/4885PRKCE 3414/4885PRKCQ 4178/4885
US-20160376521-A1 PERFUME COMPOSITION DEGS1, ALG3, DHCR24 PRKCA 2622/4885PRKCE 1488/4885PRKCQ 2195/4885
US-20160326457-A1 ESTER MEP1A, ELOVL1, EBP PRKCA 1635/4885PRKCE 487/4885PRKCQ 2047/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.