Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2125074

CCCCCCCCCCCCCCCCCC(=O)N(C(=O)CCCCCCCCCCCCCCCCC)C(CC)CC.Cl

nearest known ligand 0.47

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
▸ PPARG known ✓ P37231 6/20 0.45
▸ HDAC11 known ✓ Q96DB2 5/20 0.45
▸ ESR1 known ✓ P03372 1/20 0.45
▸ PDE4A known ✓ P27815 1/20 0.45
▸ PDE3A known ✓ Q14432 1/20 0.45
▸ CES2 O00748 3/20 0.46
▸ CES1 P23141 3/20 0.46
▸ PPARD Q03181 6/20 0.45
▸ PPARA Q07869 6/20 0.45
▸ TSHR P16473 4/20 0.45
▸ GPR84 Q9NQS5 4/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ TLR2 O60603 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ FABP4 P15090 2/20 0.45
▸ PTPN1 P18031 2/20 0.45
▸ SLC22A6 Q4U2R8 1/20 0.45
▸ SLC22A8 Q8TCC7 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALOX15 P16050 1/20 0.45

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
SCHEMBL540003 0.98 CES2 (0.48) CES2CES1PPARGPPARDPPARA
SCHEMBL28626297 0.87 DNM1 (0.45) CES2CES1PPARGPPARDPPARA
SCHEMBL3236669 0.84 MAPT (0.47) CES2CES1PPARGPPARDPPARA
SCHEMBL6414841 0.80 FFAR4 (0.48) CES2CES1PPARGPPARDPPARA
SCHEMBL5964711 0.80 FFAR4 (0.48) CES2CES1PPARGPPARDPPARA
SCHEMBL28304172 0.79 CES2 (0.50) CES2CES1PPARGPPARDPPARA
SCHEMBL29050971 0.78 FFAR4 (0.50) CES2CES1TSHRGPR84ALDH1A1
Hydrochloric Acid SCHEMBL2519071 0.76 CES2 (0.56) CES2CES1PPARGPPARDPPARA
Hydrochloric Acid SCHEMBL10562503 0.76 CES2 (0.56) CES2CES1PPARGPPARDPPARA
Hydrochloric Acid SCHEMBL1088733 0.76 CES2 (0.56) CES2CES1PPARGPPARDPPARA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2413879-B1 CAPILLARY COMPOSITION FOR TREATING HAIR L'ORÉAL (FR) 2017-08-16 — — EP claimed
US-20120103358-A1 CAPILLARY COMPOSITION FOR TREATING HAIR L'OREAL (FR) 2012-05-03 — — US claimed
US-20120103358-A1 CAPILLARY COMPOSITION FOR TREATING HAIR L'OREAL (FR) 2012-05-03 — — US disclosed
US-20120093900-A1 CAPILLARY COMPOSITION FOR TREATING HAIR L'OREAL (FR) 2012-04-19 — — US disclosed
WO-2011128309-A1 COMPOSITION AND TREATMENT PROCESS USING PUMICE PARTICLES L'OREAL (FR) 2011-10-20 — — WO 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 (2 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-20120093900-A1 CAPILLARY COMPOSITION FOR TREATING HAIR POLE3, POLR1C, NUP205 PPARG 4293/4885HDAC11 264/4885ESR1 3393/4885
US-20120103358-A1 CAPILLARY COMPOSITION FOR TREATING HAIR POLE3, POLR1C, PUM1 PPARG 3241/4885HDAC11 837/4885ESR1 3406/4885

“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.

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