SCHEMBL9529530

SCHEMBL9529530

CCCCCCCCCCCCCCCCc1cc(OC[C@H](CO)Oc2ccon2)no1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.37
PLA2G2A P14555 1/20 0.36
CNR2 P34972 8/20 0.34
SMPD1 P17405 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CNR1 P21554 5/20 0.33

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
SCHEMBL9529528 1.00 PPARA (0.37) PPARAPLA2G2ACNR2SMPD1ALDH1A1
SCHEMBL9531863 0.87 PPARA (0.39) PPARAPLA2G2ACNR2SMPD1ALDH1A1
SCHEMBL9531869 0.87 PPARA (0.39) PPARAPLA2G2ACNR2SMPD1ALDH1A1
SCHEMBL10771361 0.84 PPARA (0.36) PPARASMPD1ALDH1A1CYP1A2CYP2D6
SCHEMBL9532063 0.84 PPARA (0.41) PPARAPLA2G2ACNR2SMPD1ALDH1A1
SCHEMBL9532070 0.84 PPARA (0.41) PPARAPLA2G2ACNR2SMPD1ALDH1A1
SCHEMBL9799024 0.82 SMPD1 (0.35) PPARAPLA2G2ASMPD1ALDH1A1CYP1A2
SCHEMBL9528909 0.79 PPARA (0.43) PPARACNR2SMPD1ALDH1A1
SCHEMBL9529591 0.79 USP2 (0.44) PLA2G2ACYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL9530058 0.79 USP2 (0.44) PLA2G2ACYP1A2CYP2D6CYP19A1CYP2C9

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