SCHEMBL5385296

SCHEMBL5385296

CCOC(=O)/C=C/c1cn(Cc2ccc3cc(OCc4ccccc4)ccc3c2)cc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.48
PTGDR Q13258 1/20 0.48
BACE1 P56817 1/20 0.45
MEN1 O00255 1/20 0.45
HSP90AA1 P07900 1/20 0.45
KMT2A Q03164 1/20 0.45
PPARG P37231 2/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
P2RY14 Q15391 1/20 0.43
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
MAOB P27338 1/20 0.41
HDAC8 Q9BY41 4/20 0.41
NR1H4 Q96RI1 1/20 0.40
SRD5A2 P31213 1/20 0.39
ALOX5 P09917 1/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39

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
SCHEMBL5374877 0.92 NR1H4 (0.45) BACE1MEN1HSP90AA1KMT2APPARG
SCHEMBL5377058 0.90 BACE1 (0.43) PTGER3BACE1MEN1HSP90AA1KMT2A
SCHEMBL6595113 0.88 PTGER3 (0.61) PTGER3PTGDRBACE1P2RY14ALOX5
SCHEMBL6595111 0.88 PTGER3 (0.61) PTGER3PTGDRBACE1P2RY14ALOX5
SCHEMBL5385300 0.82 LTB4R (0.47) PTGER3PTGDRBACE1PPARGP2RY14
SCHEMBL5379303 0.82 ALOX5 (0.48) PTGER3PTGDRBACE1MEN1KMT2A
SCHEMBL5387806 0.81 FFAR1 (0.55) PPARGPPARA
SCHEMBL6592132 0.80 PTGER3 (0.51) PTGER3PTGDRBACE1
SCHEMBL6592125 0.80 PTGER3 (0.51) PTGER3PTGDRBACE1
SCHEMBL5382479 0.78 P2RY14 (0.47) PTGER3PTGDRBACE1MEN1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed