SCHEMBL6131942

SCHEMBL6131942

COc1cc(Cl)c(CCl)cc1O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.43
TAAR1 Q96RJ0 2/20 0.41
ALOX15 P16050 3/20 0.40
ALOX12 P18054 2/20 0.40
MAOB P27338 1/20 0.39
HMGCR P04035 1/20 0.39
MCL1 Q07820 1/20 0.38
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
CYP3A4 P08684 2/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL13463385 0.84 TAAR1 (0.50) TAAR1ALOX12HMGCRMAPK1ALDH1A1
SCHEMBL248581 0.79 MAOB (0.48) TRPV1MAOBTSHRALDH1A1MAPT
SCHEMBL4056315 0.78 TAAR1 (0.43) TAAR1KDM4EALDH1A1MAPTMEN1
SCHEMBL25664040 0.77 MAOB (0.46) MAOBTSHRMEN1KMT2A
SCHEMBL1753781 0.76 TRPV1 (0.48) TRPV1TAAR1ALOX15ALOX12HMGCR
Hydrochloric Acid SCHEMBL2007605 0.74 TRPV1 (0.47) TRPV1TAAR1ALOX15ALOX12HMGCR
SCHEMBL10509984 0.73 TAAR1 (0.62) TRPV1TAAR1TSHRMAPK1CYP3A4
SCHEMBL69147 0.73 HSD17B10 (0.52) TRPV1MAOBTSHRKDM4EALDH1A1
SCHEMBL4398163 0.73 GAA (0.56) TRPV1TAAR1MAOBKDM4EALDH1A1
SCHEMBL2567408 0.72 PTGS2 (0.44) TRPV1ALOX15ALOX12MAOBMEN1

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-1032559-A4 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2005-05-25 EP disclosed
US-6479495-B1 SIMULTANEOUSLY TREATING DEPRESSION AND MEMORY DYSFUNCTION IN MAMMALS SUFFERING FROM MEMORY DYSFUNCTION AND DEPRESSION AVENTIS PHARMACEUTICALS INC. 2002-11-12 US disclosed
EP-1032559-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2000-09-06 EP disclosed
WO-1999016746-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 1999-04-08 WO disclosed