SCHEMBL3889372

SCHEMBL3889372

CC(Cc1ccc(OCCOc2ccccc2Cl)c(-c2ccc3[nH]ccc3c2)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.44
PPARA Q07869 3/20 0.44
PTGS2 P35354 1/20 0.41
ENPP2 Q13822 1/20 0.41
PPARG P37231 1/20 0.41
PLA2G10 O15496 3/20 0.40
PLA2G2A P14555 3/20 0.40
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
PLA2G1B P04054 1/20 0.40
PLA2G5 P39877 1/20 0.40
PLA2G2C Q5R387 1/20 0.40
PLA2G12B Q9BX93 1/20 0.40
PLA2G12A Q9BZM1 1/20 0.40
PLA2G2F Q9BZM2 1/20 0.40
PLA2G3 Q9NZ20 1/20 0.40
PLA2G2E Q9NZK7 1/20 0.40
PLA2G2D Q9UNK4 1/20 0.40

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
SCHEMBL3884675 0.91 PTGER1 (0.41) PPARDPPARAPTGS2ENPP2PPARG
SCHEMBL3884645 0.90 PTGS2 (0.43) PPARDPPARAPTGS2ENPP2PPARG
SCHEMBL3885225 0.88 PTGER1 (0.46) PTGS2ENPP2PLA2G10PLA2G2APTGER1
SCHEMBL3894657 0.87 PPARA (0.46) PPARDPPARAPTGS2ENPP2PPARG
SCHEMBL3882394 0.87 PTGER1 (0.42) PTGS2ENPP2PLA2G10PLA2G2APTGER1
SCHEMBL3881608 0.86 PTGS2 (0.42) PPARAPTGS2ENPP2PPARGPLA2G10
SCHEMBL3886809 0.86 PTGS2 (0.42) PPARDPPARAPTGS2ENPP2PPARG
SCHEMBL3882300 0.86 PTGS2 (0.45) PPARDPPARAPTGS2ENPP2PPARG
SCHEMBL3890174 0.86 PTGER1 (0.53) PTGS2ENPP2PLA2G10PLA2G2APTGER1
SCHEMBL3882397 0.85 PTGER1 (0.44) PTGS2ENPP2PLA2G10PLA2G2APTGER1

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