Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4444061

Cc1cc2c(-c3ccccc3)ccccc-2c1[Zr+2]c1c(C)cc2c(-c3ccccc3)ccccc1-2.[Cl-].[Cl-]

nearest known ligand 0.40

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Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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
ESR2 Q92731 1/20 0.40
CYP2A6 P11509 2/20 0.38
CYP2B6 P20813 1/20 0.38
PTGS2 P35354 1/20 0.36
BACE1 P56817 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
SQOR Q9Y6N5 1/20 0.35
ALDH1A1 P00352 7/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 2/20 0.34
BCL2L1 Q07817 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 3/20 0.34
RAB9A P51151 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34

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 SCHEMBL6567422 0.92 ESR2 (0.35) ESR2CYP2A6CYP2B6PTGS2BACE1
Hydrochloric Acid SCHEMBL27629774 0.74 ESR2 (0.41) ESR2CYP2A6CYP2B6PTGS2BACE1
SCHEMBL4830408 0.71 ESR2 (0.60) ESR2CYP2A6CYP2B6BACE1PDCD1
SCHEMBL1476609 0.71 ALDH1A1 (0.58) CYP2A6PTGS2BACE1PDCD1CD274
Hydrochloric Acid SCHEMBL27629776 0.71 ESR2 (0.41) ESR2CYP2A6CYP2B6PTGS2BACE1
Hydrochloric Acid SCHEMBL714599 0.70 ESR2 (0.38) ESR2CYP2A6CYP2B6PTGS2BACE1
Hydrochloric Acid SCHEMBL722083 0.70 ESR2 (0.38) ESR2CYP2A6CYP2B6PTGS2BACE1
Hydrochloric Acid SCHEMBL4444069 0.69 ESR2 (0.40) ESR2CYP2A6CYP2B6PTGS2BACE1
SCHEMBL6825024 0.69 BACE1 (0.52) CYP2A6PTGS2BACE1ALDH1A1HSD17B10
SCHEMBL27620844 0.69 ALDH1A1 (0.50) CYP2A6CYP2B6PTGS2BACE1PDCD1

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-1247573-B1 Catalyst for polymerizing olefin and process for polymerizing olefin JAPAN POLYPROPYLENE CORP (JP) 2009-10-21 EP disclosed
US-7005400-B2 Component of catalyst for polymerizing olefin, catalyst for polymerizing olefin and process for polymerizing olefin JAPAN POLYCHEM CORPORATION (JP) 2006-02-28 US disclosed
US-20030054952-A1 Component of catalyst for polymerizing olefin, catalyst for polymerizing olefin and process for polymerizing olefin JAPAN POLYCHEM CORPORATION (JP) 2003-03-20 US disclosed
EP-1247573-A1 Component of catalyst for polymerizing olefin, catalyst for polymerizing olefin and process for polymerizing olefin Japan Polychem Corporation, Catalyst Research & Development Center (JP) 2002-10-09 EP disclosed