SCHEMBL13586396

SCHEMBL13586396

CCOc1ccc(OC(=O)c2ccc(-c3ccc(C4CCC(C(C)O)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 16/20 0.40
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ CCNC P24863 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ PPARD Q03181 1/20 0.35

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
SCHEMBL13586263 0.95 FFAR4 (0.37) FFAR4ALOX5APFEN1CCNCCDK8
SCHEMBL12719412 0.93 CCNC (0.39) FFAR4ALOX5APFEN1CCNCCDK8
SCHEMBL13586504 0.92 FFAR4 (0.36) FFAR4ALOX5APFEN1CCNCCDK8
SCHEMBL12742537 0.90 ALOX5AP (0.38) FFAR4ALOX5APFEN1CCNCCDK8
SCHEMBL12823934 0.90 FFAR4 (0.38) FFAR4ALOX5APFEN1
SCHEMBL13586474 0.90 ALOX5AP (0.39) FFAR4ALOX5APFEN1CCNCCDK8
SCHEMBL12742534 0.90 ALOX5AP (0.38) FFAR4ALOX5APFEN1CCNCCDK8
SCHEMBL14767097 0.90 ALOX5AP (0.38) FFAR4ALOX5APFEN1CCNCCDK8
SCHEMBL12742525 0.90 ALOX5AP (0.38) FFAR4ALOX5APFEN1CCNCCDK8
SCHEMBL13586133 0.89 ALOX5AP (0.41) FFAR4ALOX5APFEN1CCNCCDK8

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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO disclosed
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