SCHEMBL14766244

SCHEMBL14766244

C=CCCCOc1ccc(C2CCC(OCc3ccc(-c4ccc(OCCCC)cc4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
CNR2 P34972 2/20 0.33
FFAR4 Q5NUL3 3/20 0.33
CNR1 P21554 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NAAA Q02083 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
SCHEMBL14766649 1.00 GABRA1 (0.34) GABRA1GABRB2CNR2FFAR4CNR1
SCHEMBL14767102 0.97 GABRA1 (0.33) GABRA1GABRB2CNR2FFAR4CNR1
SCHEMBL14765952 0.97 GABRA1 (0.33) GABRA1GABRB2CNR2FFAR4CNR1
SCHEMBL14765939 0.95 FFAR4 (0.35) GABRA1GABRB2CNR2FFAR4CNR1
SCHEMBL14766739 0.95 FFAR4 (0.35) GABRA1GABRB2CNR2FFAR4CNR1
SCHEMBL14766842 0.94 FFAR4 (0.36) FFAR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL14765890 0.94 FFAR4 (0.36) FFAR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL14766068 0.92 FFAR4 (0.35) GABRA1GABRB2CNR2FFAR4CNR1
SCHEMBL14766738 0.92 FFAR4 (0.35) GABRA1GABRB2CNR2FFAR4CNR1
SCHEMBL14766208 0.92 GABRA1 (0.33) GABRA1GABRB2FFAR4NAAA

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