SCHEMBL3628517

SCHEMBL3628517

Cc1ccc2c(c1)C=CCC2(C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.35
RARB P10826 7/20 0.34
RARG P13631 6/20 0.33
RARA P10276 5/20 0.33
CCR2 P41597 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
RXRA P19793 5/20 0.32
RXRB P28702 4/20 0.32
RXRG P48443 3/20 0.32
PTGS2 P35354 1/20 0.31
MEN1 O00255 1/20 0.31
CYP26A1 O43174 1/20 0.31
PGR P06401 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
TBXA2R P21731 1/20 0.31
BLVRB P30043 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 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
SCHEMBL9899733 0.79 THRB (0.35) TP53MAPTMEN1CYP3A4KMT2A
SCHEMBL31686125 0.78 IDO1 (0.35) TP53CYP3A4HTTIDO1
SCHEMBL16194297 0.73 TP53 (0.33) TP53CYP3A4
SCHEMBL7601520 0.68 NPC1 (0.43) RARBRARGRARATP53MAPT
SCHEMBL19469462 0.68 ALDH1A1 (0.43) MAPTRXRARXRBRXRGMEN1
SCHEMBL11836524 0.66 RARB (0.32) RARBRARGRARARXRARXRB
SCHEMBL11736019 0.65 OPRL1 (0.31) CYP3A4
Hydrochloric Acid SCHEMBL11703700 0.64 OPRL1 (0.30)
SCHEMBL29596749 0.64 METAP1 (0.42) MAPTMEN1CYP3A4KMT2A
SCHEMBL16194435 0.64 TP53 (0.33) TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565509-B1 CATALYTIC COMPOSITION OF ORGANOTIN COMPOUNDS CHEMTURA ORGANOMETALLICS GMBH (DE) 2010-03-10 EP disclosed
US-7297804-B2 Catalytic composition of organotin compounds CHEMTURA ORGANOMETALICS GMBH (DE) 2007-11-20 US disclosed
US-20060047101-A1 Catalytic composition of organotin compounds CHEMTURA ORGANOMETALLICS GMBH (DE) 2006-03-02 US disclosed
EP-1565509-A1 CATALYTIC COMPOSITION OF ORGANOTIN COMPOUNDS Crompton GmbH (DE) 2005-08-24 EP disclosed
WO-2004050742-A1 CATALYTIC COMPOSITION OF ORGANOTIN COMPOUNDS CROMPTON GMBH (DE) 2004-06-17 WO disclosed