SCHEMBL14766672

SCHEMBL14766672

C=CCCOc1ccc(OCC2CCC(c3ccc(-c4ccc(OCCCC)cc4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
CNR2 P34972 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
FFAR4 Q5NUL3 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
SCN9A Q15858 1/20 0.31
CNR1 P21554 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
SCHEMBL14765842 1.00 ALOX5AP (0.32) ALOX5APFEN1CNR2CHRM2CHRM4
SCHEMBL14765994 0.97 ALOX5AP (0.33) ALOX5APFEN1CNR2CHRM2CHRM4
SCHEMBL14767182 0.97 ALOX5AP (0.33) ALOX5APFEN1CNR2CHRM2CHRM4
SCHEMBL14766699 0.94 ALOX5AP (0.33) ALOX5APFEN1FFAR4GABRA1GABRB2
SCHEMBL14765781 0.94 ALOX5AP (0.33) ALOX5APFEN1FFAR4GABRA1GABRB2
SCHEMBL14765848 0.94 CNR2 (0.35) CNR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL14766876 0.92 ALOX5AP (0.36) ALOX5APFEN1CHRM2CHRM4CHRM5
SCHEMBL14766079 0.92 ALOX5AP (0.36) ALOX5APFEN1CHRM2CHRM4CHRM5
SCHEMBL14767103 0.92 FFAR1 (0.38) ALOX5APFEN1CNR2FFAR4SCN9A
SCHEMBL14766321 0.92 FFAR1 (0.35) ALOX5APFEN1CNR2FFAR4SCN9A

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