Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11274233

CC(C)C(=O)O.CC(C)C(=O)O.CCCNCCc1ccc2cc(O)c(O)cc2c1.Cl

nearest known ligand 0.41

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
ADRB2 known ✓ P07550 2/20 0.40
ADRA2B known ✓ P18089 2/20 0.40
ADRA2C known ✓ P18825 2/20 0.40
DRD1 known ✓ P21728 2/20 0.40
SLC6A2 known ✓ P23975 2/20 0.40
SLC6A4 known ✓ P31645 2/20 0.40
ADRA1A known ✓ P35348 2/20 0.40
PTGS2 known ✓ P35354 2/20 0.40
DRD3 known ✓ P35462 2/20 0.40
OPRK1 known ✓ P41145 2/20 0.40
SLC6A3 known ✓ Q01959 2/20 0.40
KCNH2 known ✓ Q12809 2/20 0.40
CHRM1 known ✓ P11229 1/20 0.40
HRH1 known ✓ P35367 1/20 0.40
PDE4D known ✓ Q08499 1/20 0.40
HRH3 known ✓ Q9Y5N1 1/20 0.40
PTGS1 known ✓ P23219 1/20 0.40
SIGMAR1 known ✓ Q99720 2/20 0.39
GRIN2D known ✓ O15399 1/20 0.39
GRIN2A known ✓ Q12879 1/20 0.39

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 SCHEMBL11282789 0.93 KCNH2 (0.44) AKR1C3AKR1C2ADRB2ADORA3ADRA2B
Hydrochloric Acid SCHEMBL11271659 0.91 AKR1C3 (0.42) AKR1C3AKR1C2ADRB2ADORA3ADRA2B
Hydrochloric Acid SCHEMBL11278364 0.89 MAPT (0.47) ADRB2ADORA3ADRA2BADRA2CDRD1
Hydrochloric Acid SCHEMBL11283672 0.82 MAPT (0.40) AKR1C3AKR1C2ADRB2ADORA3ADRA2B
Acetic Acid SCHEMBL11283942 0.81 MAPT (0.47) ADRB2ADORA3ADRA2BADRA2CDRD1
Hydrochloric Acid SCHEMBL11265322 0.81 ADRB2 (0.49) ADRB2ADORA3ADRA2BADRA2CDRD1
Hydrochloric Acid SCHEMBL11276042 0.80 LMNA (0.51) AKR1C3AKR1C2ADRB2DRD1SLC6A2
Hydrochloric Acid SCHEMBL11278458 0.79 KDM4E (0.49) ADRB2ADORA3ADRA2BADRA2CDRD1
Propionic Acid SCHEMBL11286530 0.78 KDM4E (0.43) AKR1C3AKR1C2ADRB2ADORA3ADRA2B
Bromide SCHEMBL11275657 0.78 HCAR2 (0.43) AKR1C3AKR1C2ADRB2ADORA3ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4327022-A Heterocyclic alkyl naphthols STERLING DRUG INC. (US) 1982-04-27 US disclosed
US-4169108-A 5(OR 6)-[(Substituted-amino)alkyl]-2,3-naphthalenediols STERLING DRUG INC. (US) 1979-09-25 US disclosed