SCHEMBL9532063

SCHEMBL9532063

CCCCCCCCCCCCCCCc1cc(OCC(CO)OC)no1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.41
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
PLA2G2A P14555 1/20 0.40
SMPD1 P17405 1/20 0.38
CNR2 P34972 7/20 0.38
CNR1 P21554 4/20 0.36
ALDH1A1 P00352 1/20 0.35
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 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
SCHEMBL9532070 1.00 PPARA (0.41) PPARACYP2C9TSHRPLA2G2ASMPD1
SCHEMBL9531869 0.86 PPARA (0.39) PPARATSHRPLA2G2ASMPD1CNR2
SCHEMBL9531863 0.86 PPARA (0.39) PPARATSHRPLA2G2ASMPD1CNR2
SCHEMBL9528909 0.85 PPARA (0.43) PPARATSHRSMPD1CNR2ALDH1A1
SCHEMBL9528916 0.85 PPARA (0.43) PPARATSHRSMPD1CNR2ALDH1A1
SCHEMBL9529530 0.84 PPARA (0.37) PPARACYP2C9PLA2G2ASMPD1CNR2
SCHEMBL9529528 0.84 PPARA (0.37) PPARACYP2C9PLA2G2ASMPD1CNR2
SCHEMBL9529381 0.76 PLA2G2A (0.41) PPARAPLA2G2ASMPD1CNR2
SCHEMBL9529384 0.76 PLA2G2A (0.41) PPARAPLA2G2ASMPD1CNR2
SCHEMBL10770807 0.73 PPARA (0.38) PPARATSHRSMPD1ALDH1A1

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-0238202-B1 GLYCEROL DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE Sankyo Company Limited (JP) 1993-04-28 EP disclosed
US-5068340-A Antagonist of platelet activating factor for treatment of asthma, inflammation or shock SANKYO COMPANY, LIMITED (JP) 1991-11-26 US disclosed
EP-0238202-A2 Glycerol derivatives, their preparation and their therapeutic use Sankyo Company Limited (JP) 1987-09-23 EP disclosed