Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11279707

CC(=O)Oc1cc2ccc(C(=O)C(C)N3CCCC3)cc2c(C)c1OC(C)=O.Cl

nearest known ligand 0.50

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
GAA known ✓ P10253 1/20 0.50
SLC6A2 known ✓ P23975 8/20 0.46
SLC6A3 known ✓ Q01959 8/20 0.46
CHRNB4 known ✓ P30926 6/20 0.46
CHRNA3 known ✓ P32297 6/20 0.46
CHRNA1 known ✓ P02708 4/20 0.46
CHRNG known ✓ P07510 4/20 0.46
CHRNB1 known ✓ P11230 4/20 0.46
CHRND known ✓ Q07001 4/20 0.46
SLC6A4 known ✓ P31645 4/20 0.42
TOP1 known ✓ P11387 1/20 0.35
MAOB known ✓ P27338 1/20 0.34
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CHRNB2 P17787 5/20 0.46
CHRNA4 P43681 5/20 0.46
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM2B Q8NHM5 5/20 0.36
HTT P42858 1/20 0.33

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 SCHEMBL11277755 0.78 ALDH1A1 (0.57) KDM4EALDH1A1GAASLC6A2SLC6A3
Hydrochloric Acid SCHEMBL17645636 0.68 SLC6A3 (0.63) KDM4EALDH1A1GAASLC6A2SLC6A3
Hydrochloric Acid SCHEMBL11276045 0.68 HTT (0.36) KDM4EALDH1A1GAAKMT2ATOP1
Hydrochloric Acid SCHEMBL11270201 0.67 LMNA (0.43) KDM4EALDH1A1GAASLC6A2SLC6A3
SCHEMBL11265978 0.67 SLC6A2 (0.65) KDM4EALDH1A1GAASLC6A2SLC6A3
SCHEMBL895863 0.66 SLC6A3 (0.65) KDM4EALDH1A1GAASLC6A2SLC6A3
SCHEMBL17644179 0.66 SLC6A3 (0.65) KDM4EALDH1A1GAASLC6A2SLC6A3
SCHEMBL11462987 0.66 HTT (0.51) KDM4EALDH1A1GAAKMT2ATOP1
Hydrochloric Acid SCHEMBL11282800 0.66 ALPL (0.42) KDM4EALDH1A1MEN1KMT2AMAOB
Hydrochloric Acid SCHEMBL15162451 0.66 ALDH1A1 (0.57) KDM4EALDH1A1GAASLC6A2SLC6A3

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