SCHEMBL14766947

SCHEMBL14766947

C=CCCOc1ccc(OC(=O)c2ccc(-c3ccc(C4CCC(OCC)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.36
▸ FEN1 P39748 3/20 0.36
▸ FFAR4 Q5NUL3 3/20 0.33
▸ FFAR1 O14842 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ PPARD Q03181 4/20 0.31
▸ PPARA Q07869 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ FAAH O00519 1/20 0.30
▸ PTPN11 Q06124 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL14766991 0.95 ALOX5AP (0.34) ALOX5APFEN1FFAR4FFAR1MAPT
SCHEMBL14767296 0.94 ALOX5AP (0.34) ALOX5APFEN1FFAR4FFAR1CCNC
SCHEMBL14766704 0.94 ALOX5AP (0.34) ALOX5APFEN1FFAR4FFAR1MAPT
SCHEMBL14767204 0.92 ALOX5AP (0.35) ALOX5APFEN1FFAR4FFAR1MAPT
SCHEMBL14767104 0.92 ALOX5AP (0.36) ALOX5APFEN1FFAR4FFAR1MAPT
SCHEMBL14767274 0.91 ALOX5AP (0.33) ALOX5APFEN1FFAR4SCN9A
SCHEMBL12742623 0.91 ALOX5AP (0.37) ALOX5APFEN1FFAR4FFAR1MAPT
SCHEMBL14766972 0.91 ALOX5AP (0.39) ALOX5APFEN1CCNCCDK8L3MBTL1
SCHEMBL14766258 0.91 ALOX5AP (0.39) ALOX5APFEN1CCNCCDK8L3MBTL1
SCHEMBL14767189 0.90 ALOX5AP (0.39) ALOX5APFEN1FFAR4FFAR1MAPT

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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