SCHEMBL28752889

SCHEMBL28752889

Nc1cc(CCC(=O)O)cc(-c2ccc3[nH]ccc3c2)c1OCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 3/20 0.44
▸ ENPP2 Q13822 1/20 0.44
▸ FFAR1 O14842 7/20 0.43
▸ LTB4R Q15722 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CTNNB1 P35222 1/20 0.38
▸ WNT3A P56704 1/20 0.38
▸ THRA P10827 2/20 0.38
▸ THRB P10828 2/20 0.38
▸ KEAP1 Q14145 1/20 0.37
▸ PI4K2A Q9BTU6 1/20 0.37
▸ PTGS2 P35354 1/20 0.37

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
SCHEMBL27608051 0.91 ENPP2 (0.43) FFAR4ENPP2NPC1CTNNB1WNT3A
SCHEMBL27627117 0.87 THRA (0.49) FFAR4ENPP2LTB4RTHRATHRB
SCHEMBL27627100 0.86 FFAR1 (0.51) FFAR4FFAR1THRATHRBKEAP1
SCHEMBL27607994 0.85 ENPP2 (0.48) FFAR4ENPP2FFAR1LTB4RNPC1
SCHEMBL27607993 0.85 TRPA1 (0.43) FFAR1CTNNB1WNT3A
SCHEMBL3881097 0.83 THRA (0.49) FFAR4ENPP2LTB4RTHRATHRB
SCHEMBL3483255 0.82 THRA (0.49) FFAR4ENPP2THRATHRBPI4K2A
SCHEMBL3883583 0.82 ENPP2 (0.40) FFAR4ENPP2FFAR1LTB4RNPC1
SCHEMBL3882120 0.82 FFAR1 (0.45) FFAR4ENPP2FFAR1NPC1CTNNB1
SCHEMBL3890767 0.81 FFAR1 (0.52) FFAR4FFAR1THRATHRBKEAP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100387576-C Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2008-05-14 — — CN claimed
CN-1653032-A Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2005-08-10 — — CN claimed
CN-100387576-C Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2008-05-14 — — CN disclosed
CN-1653032-A Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2005-08-10 — — CN disclosed
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