SCHEMBL3894495

SCHEMBL3894495

CC(Cc1ccc(OCCc2ccc3ccccc3c2)c(-c2ccc3[nH]ccc3c2)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.41
ENPP2 Q13822 1/20 0.41
MET P08581 1/20 0.38
PPARG P37231 3/20 0.38
PPARA Q07869 3/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PLA2G10 O15496 3/20 0.38
PLA2G2A P14555 3/20 0.38
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
PLA2G1B P04054 1/20 0.38
PLA2G5 P39877 1/20 0.38
PLA2G2C Q5R387 1/20 0.38
PLA2G12B Q9BX93 1/20 0.38
PLA2G12A Q9BZM1 1/20 0.38
PLA2G2F Q9BZM2 1/20 0.38
PLA2G3 Q9NZ20 1/20 0.38
PLA2G2E Q9NZK7 1/20 0.38

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
SCHEMBL3884652 0.91 PTGER1 (0.45) PTGS2ENPP2METPLA2G10PLA2G2A
SCHEMBL3884645 0.89 PTGS2 (0.43) PTGS2ENPP2METPPARGPPARA
SCHEMBL3893365 0.89 PTGS2 (0.40) PTGS2ENPP2METPPARGPPARA
SCHEMBL3883391 0.88 PTGS2 (0.41) PTGS2ENPP2PPARGPPARAALOX5
SCHEMBL3882075 0.88 PTGS2 (0.43) PTGS2ENPP2PPARGPPARAPLA2G10
SCHEMBL3884148 0.88 ENPP2 (0.39) PTGS2ENPP2PPARGPPARAFFAR4
SCHEMBL3894526 0.88 PPARG (0.47) PPARGPPARAPLA2G10PLA2G2APTGER1
SCHEMBL3886809 0.87 PTGS2 (0.42) PTGS2ENPP2PPARGPPARAPTGES
SCHEMBL3886886 0.87 PTGER1 (0.41) PTGS2ENPP2METPPARGPPARA
SCHEMBL3884675 0.87 PTGER1 (0.41) PTGS2ENPP2METPPARGPPARA

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
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed