SCHEMBL14766972

SCHEMBL14766972

C=CCCOc1ccc(OC(=O)c2ccc(-c3ccc(C4CCC(OCC)CC4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 7/20 0.39
▸ FEN1 P39748 7/20 0.39
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ CCNC P24863 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL14766258 1.00 ALOX5AP (0.39) ALOX5APFEN1GABRA1GABRB2CCNC
SCHEMBL14766056 0.94 ALOX5AP (0.36) ALOX5APFEN1GABRA1GABRB2CCNC
SCHEMBL14767216 0.94 ALOX5AP (0.36) ALOX5APFEN1GABRA1GABRB2CCNC
SCHEMBL12742500 0.92 ALOX5AP (0.39) ALOX5APFEN1MEN1CYP3A4KMT2A
SCHEMBL14766839 0.92 ALOX5AP (0.39) ALOX5APFEN1GABRA1GABRB2CCNC
SCHEMBL12737398 0.92 ALOX5AP (0.39) ALOX5APFEN1MEN1CYP3A4KMT2A
SCHEMBL14766348 0.92 ALOX5AP (0.39) ALOX5APFEN1GABRA1GABRB2CCNC
SCHEMBL14766507 0.92 ALOX5AP (0.37) ALOX5APFEN1GABRA1GABRB2CCNC
SCHEMBL14766859 0.92 ALOX5AP (0.37) ALOX5APFEN1GABRA1GABRB2CCNC
SCHEMBL14766947 0.91 ALOX5AP (0.36) ALOX5APFEN1GABRA1GABRB2CCNC

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
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed
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