SCHEMBL6595111

SCHEMBL6595111

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 4/20 0.61
PTGDR Q13258 2/20 0.61
BACE1 P56817 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
PTGER4 P35408 3/20 0.48
PTGER2 P43116 3/20 0.48
PTGER1 P34995 2/20 0.48
P2RY14 Q15391 1/20 0.47
CYP2D6 P10635 1/20 0.45
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
ALOX5 P09917 1/20 0.44
TBXA2R P21731 1/20 0.43
PTGFR P43088 1/20 0.43
PLA2G2D Q9UNK4 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
GSTP1 P09211 1/20 0.42

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
SCHEMBL6595113 1.00 PTGER3 (0.61) PTGER3PTGDRBACE1KDM4EALDH1A1
SCHEMBL6592125 0.91 PTGER3 (0.51) PTGER3PTGDRBACE1KDM4EALDH1A1
SCHEMBL6592132 0.91 PTGER3 (0.51) PTGER3PTGDRBACE1KDM4EALDH1A1
SCHEMBL5385296 0.88 PTGER3 (0.48) PTGER3PTGDRBACE1P2RY14LTB4R
SCHEMBL5377296 0.88 PTGER3 (0.51) PTGER3PTGDRBACE1KDM4EALDH1A1
SCHEMBL5377289 0.88 PTGER3 (0.51) PTGER3PTGDRBACE1KDM4EALDH1A1
SCHEMBL5379303 0.87 ALOX5 (0.48) PTGER3PTGDRBACE1P2RY14ALOX5
SCHEMBL5385300 0.83 LTB4R (0.47) PTGER3PTGDRBACE1P2RY14LTB4R
SCHEMBL5387585 0.81 ALOX5 (0.49) PTGER3PTGDRKDM4EP2RY14ALOX5
SCHEMBL5382479 0.80 P2RY14 (0.47) PTGER3PTGDRBACE1KDM4EALDH1A1

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-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 WO disclosed