SCHEMBL27627100

SCHEMBL27627100

Nc1cc(CCC(=O)O)cc(-c2ccc3ccccc3c2)c1OCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 15/20 0.51
▸ FFAR4 Q5NUL3 6/20 0.47
▸ CCNC P24863 1/20 0.46
▸ CDK8 P49336 1/20 0.46
▸ KEAP1 Q14145 1/20 0.42
▸ AKR1B1 P15121 1/20 0.42
▸ THRA P10827 1/20 0.42
▸ THRB P10828 1/20 0.42

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
SCHEMBL3890767 0.94 FFAR1 (0.52) FFAR1FFAR4CCNCCDK8KEAP1
SCHEMBL3482820 0.93 FFAR1 (0.49) FFAR1FFAR4CCNCCDK8THRA
SCHEMBL3881184 0.90 FFAR1 (0.44) FFAR1FFAR4CCNCCDK8
SCHEMBL3881930 0.90 FFAR1 (0.52) FFAR1FFAR4CCNCCDK8
SCHEMBL27627133 0.89 CCNC (0.49) FFAR1FFAR4CCNCCDK8
SCHEMBL27607977 0.88 THRA (0.51) FFAR1FFAR4CCNCCDK8THRA
SCHEMBL3885231 0.88 FFAR4 (0.49) FFAR1FFAR4CCNCCDK8AKR1B1
SCHEMBL3882491 0.87 THRA (0.53) FFAR1FFAR4CCNCCDK8THRA
SCHEMBL3882032 0.86 FFAR4 (0.43) FFAR1FFAR4CCNCCDK8AKR1B1
SCHEMBL28752889 0.86 FFAR4 (0.44) FFAR1FFAR4KEAP1THRATHRB

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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