SCHEMBL4271071

SCHEMBL4271071

[O]c1cccc(-c2cccc(CO)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 4/20 0.41
IRAK4 Q9NWZ3 9/20 0.40
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 1/20 0.34
TGFBR1 P36897 1/20 0.34
CCR1 P32246 1/20 0.34
NOTUM Q6P988 1/20 0.34
WNT3A P56704 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
SCHEMBL4271073 0.81 HSD17B1 (0.52) TRPV3RAB9A
SCHEMBL2953474 0.80 MEN1 (0.60) TRPV3MEN1RAB9AKMT2ATHRB
SCHEMBL4591178 0.79 CNR2 (0.48) TRPV3NOTUM
SCHEMBL17595532 0.79 KMO (0.48) TRPV3MEN1KMT2ATHRBTGFBR1
SCHEMBL29897575 0.79 KMO (0.48) TRPV3MEN1KMT2ATHRBTGFBR1
SCHEMBL16588099 0.77 CCR1 (0.48) TRPV3MEN1RAB9AKMT2ATHRB
SCHEMBL24701007 0.76 CYP2A6 (0.57) IRAK4
SCHEMBL21790698 0.75 GABRG2 (0.50) RAB9A
SCHEMBL9145225 0.75 CCR1 (0.46) TRPV3MEN1RAB9AKMT2ATHRB
SCHEMBL16396753 0.73 AOC3 (0.45) TRPV3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094662-B1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC (JP) 2012-04-11 EP disclosed
EP-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 WO disclosed