SCHEMBL14765890

SCHEMBL14765890

CCCCOc1ccc(-c2ccc(COC3CCC(c4ccc(OCCCC)c(F)c4F)CC3)c(F)c2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.36
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
NAAA Q02083 1/20 0.33
CYP2D6 P10635 7/20 0.32
CYP3A4 P08684 4/20 0.32
RAB9A P51151 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 5/20 0.31
CYP2C19 P33261 3/20 0.31
CYP19A1 P11511 2/20 0.31
CYP2C9 P11712 2/20 0.31
ESR1 P03372 1/20 0.31
SCN9A Q15858 1/20 0.31
RARA P10276 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
SCHEMBL14766842 1.00 FFAR4 (0.36) FFAR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL14766545 0.98 FFAR4 (0.35) FFAR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL14765877 0.98 FFAR4 (0.35) FFAR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL14766582 0.97 NAAA (0.36) FFAR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL14766099 0.97 NAAA (0.36) FFAR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL14766614 0.94 FFAR4 (0.39) FFAR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL14766488 0.94 FFAR4 (0.39) FFAR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL14766649 0.94 GABRA1 (0.34) FFAR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL14766244 0.94 GABRA1 (0.34) FFAR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL14766993 0.93 FFAR4 (0.38) FFAR4CHRM2CHRM4CHRM5CHRM1

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