Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4595086

COc1ccc(C(=O)c2ccccc2)cc1.COc1ccc(C(=O)c2ccccc2)cc1.Cl.Cl

nearest known ligand 0.74

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
CA2 known ✓ P00918 1/20 0.63
ACHE known ✓ P22303 1/20 0.63
GAA known ✓ P10253 2/20 0.59
SLC6A2 known ✓ P23975 1/20 0.59
PDE4A known ✓ P27815 1/20 0.59
HRH1 known ✓ P35367 1/20 0.59
SLC6A3 known ✓ Q01959 1/20 0.59
PDE4D known ✓ Q08499 1/20 0.59
PTGS2 known ✓ P35354 1/20 0.59
CES2 O00748 2/20 0.74
CES1 P23141 2/20 0.74
LMNA P02545 3/20 0.66
ELANE P08246 3/20 0.66
KMT2A Q03164 2/20 0.66
MAPK1 P28482 2/20 0.66
HPGD P15428 2/20 0.66
MAPT P10636 2/20 0.66
RAB9A P51151 2/20 0.66
MEN1 O00255 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66

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 SCHEMBL4595093 1.00 CES2 (0.74) CES2CES1LMNAELANEKMT2A
Benzophenone SCHEMBL27935236 0.98 CES2 (0.77) CES2CES1LMNAELANEKMT2A
SCHEMBL50261 0.98 CES2 (0.77) CES2CES1LMNAELANEKMT2A
SCHEMBL6618691 0.98 CES2 (0.77) CES2CES1LMNAELANEKMT2A
SCHEMBL28393149 0.96 CES2 (0.74) CES2CES1LMNAELANEKMT2A
SCHEMBL28888786 0.96 CES2 (0.74) CES2CES1LMNAELANEKMT2A
Ethyne SCHEMBL8192853 0.94 CES2 (0.71) CES2CES1LMNAELANEKMT2A
SCHEMBL28728499 0.94 CES2 (0.71) CES2CES1LMNAELANEKMT2A
SCHEMBL17080311 0.92 CES2 (0.69) CES2CES1LMNAELANEKMT2A
SCHEMBL2998614 0.92 CES2 (0.69) CES2CES1LMNAELANEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1314745-B1 Process for preparing trityl group containing polystyrene resins UNB CHEMICAL CORP (KR) 2008-01-09 EP disclosed
US-6875822-B2 Process for preparing tritylated polystyrene resin BEADTECH, INC. (KR) 2005-04-05 US disclosed
US-20030105243-A1 Process for preparing tritylated polystylene resin UNB CHEMICAL CORPORATION (KR) 2003-06-05 US disclosed
EP-1314745-A1 Process for preparing trityl group containing polystyrene resins Beadtech Inc. (KR) 2003-05-28 EP disclosed