SCHEMBL3883391

SCHEMBL3883391

COc1ccc(CCOc2ccc(CC(C)C(=O)O)cc2-c2ccc3[nH]ccc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.41
PPARA Q07869 4/20 0.40
PPARD Q03181 3/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
TPH1 P17752 2/20 0.37
ENPP2 Q13822 1/20 0.37
ALOX5 P09917 1/20 0.37
PPARG P37231 2/20 0.36
MAP3K11 Q16584 1/20 0.36
PRKCQ Q04759 1/20 0.36
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
MAOA P21397 1/20 0.36
CNR2 P34972 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36
CHRNA9 Q9UGM1 1/20 0.36

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
SCHEMBL3882075 0.91 PTGS2 (0.43) PTGS2PPARAPPARDENPP2ALOX5
SCHEMBL3886809 0.90 PTGS2 (0.42) PTGS2PPARAPPARDENPP2ALOX5
SCHEMBL3894495 0.88 PTGS2 (0.41) PTGS2PPARAPPARDENPP2ALOX5
SCHEMBL3882300 0.88 PTGS2 (0.45) PTGS2PPARAPPARDENPP2ALOX5
SCHEMBL3888319 0.86 FFAR1 (0.48) DRD2DRD3PPARG
SCHEMBL3884645 0.86 PTGS2 (0.43) PTGS2PPARAPPARDENPP2PPARG
SCHEMBL3893365 0.86 PTGS2 (0.40) PTGS2PPARAENPP2ALOX5PPARG
SCHEMBL3894657 0.85 PPARA (0.46) PTGS2PPARAPPARDENPP2PPARG
SCHEMBL3888486 0.85 LTB4R (0.41) PTGS2PPARAPPARDENPP2PPARG
SCHEMBL3884148 0.85 ENPP2 (0.39) PTGS2PPARAPPARDENPP2ALOX5

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