SCHEMBL14765769

SCHEMBL14765769

C=CCCCOc1ccc(C2CCC(CCc3ccc(-c4ccc(OCCCC)cc4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.32
FFAR4 Q5NUL3 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CNR1 P21554 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
PTGES O14684 1/20 0.30
ALOX5 P09917 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
SCHEMBL14766394 1.00 CNR2 (0.32) CNR2FFAR4GABRA1GABRB2CNR1
SCHEMBL14766325 0.97 CNR2 (0.32) CNR2FFAR4GABRA1GABRB2CNR1
SCHEMBL14765935 0.97 CNR2 (0.32) CNR2FFAR4GABRA1GABRB2CNR1
SCHEMBL14766324 0.94 FFAR4 (0.35) CNR2FFAR4CNR1CHRM2CHRM4
SCHEMBL14766259 0.94 FFAR4 (0.35) CNR2FFAR4CNR1CHRM2CHRM4
SCHEMBL14767203 0.92 FFAR4 (0.31) FFAR4GABRA1GABRB2
SCHEMBL14765884 0.92 FFAR4 (0.31) FFAR4GABRA1GABRB2
SCHEMBL14765874 0.92 FFAR4 (0.34) CNR2FFAR4CHRM2CHRM4CHRM5
SCHEMBL14766461 0.92 FFAR4 (0.34) CNR2FFAR4CHRM2CHRM4CHRM5
SCHEMBL14766911 0.91 FFAR4 (0.35) CNR2FFAR4CNR1CHRM2CHRM4

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