Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3889855

CC1=CC(Cc2ccccc2)([Zr+2]C2(Cc3ccccc3)C=CC(C)=C2)C=C1.[Cl-].[Cl-]

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

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 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.34
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
TP53 P04637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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 SCHEMBL3892697 0.72
SCHEMBL7566819 0.63 TP53 (0.30) ELANETP53
SCHEMBL21084790 0.60 ELANE (0.48) ELANEMAOBMAOAALDH1A1TP53
SCHEMBL10319810 0.59 ESR1 (0.31)
Hydrochloric Acid SCHEMBL252474 0.59
SCHEMBL29256181 0.59 ELANE (0.56) ELANEMAOBMAOAALDH1A1TP53
Hydrochloric Acid SCHEMBL31164305 0.58 SIGMAR1 (0.39) MAOBMAOA
SCHEMBL18239154 0.58 PNMT (0.33) MAOBMAOA
Hydrochloric Acid SCHEMBL10323375 0.56 MAOA (0.40) MAOBMAOAKDM4EALDH1A1TDP1
SCHEMBL27313949 0.55 TP53 (0.55) MAOBMAOAKDM4EALDH1A1TDP1

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-1241188-B1 COMPONENT OF CATALYST FOR OLEFIN POLYMERIZATION JAPAN POLYCHEM CORP (JP) 2009-01-21 EP disclosed
US-6677411-B2 AS CATALYST SUPPORT AN ION-EXCHANGE LAYERED SILICATE HAVING A SPECIFIC PORE SIZE DISTRIBUTION CURVE JAPAN POLYCHEM CORPORATION (JP) 2004-01-13 US disclosed
US-20030027950-A1 Component of catalyst for olefin polymerization JAPAN POLYCHEM CORPORATION (JP) 2003-02-06 US disclosed
EP-1241188-A1 COMPONENT OF CATALYST FOR OLEFIN POLYMERIZATION Japan Polychem Corporation (JP) 2002-09-18 EP disclosed