SCHEMBL8947315

SCHEMBL8947315

CCCCCOc1ccc(-c2ccc(-c3ccc(C4CCC(CCCCC)OC4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 9/20 0.36
EPHX1 P07099 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

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
SCHEMBL8947273 0.99 FPR2 (0.35) FPR2EPHX1CHRM2CHRM4CHRM5
SCHEMBL8947180 0.99 FPR2 (0.35) FPR2EPHX1CHRM2CHRM4CHRM5
SCHEMBL8947358 0.99 FPR2 (0.35) FPR2EPHX1CHRM2CHRM4CHRM5
SCHEMBL8947351 0.99 FPR2 (0.35) FPR2EPHX1CHRM2CHRM4CHRM5
SCHEMBL8947339 0.99 FPR2 (0.35) FPR2EPHX1CHRM2CHRM4CHRM5
SCHEMBL8947324 0.99 FPR2 (0.35) FPR2EPHX1CHRM2CHRM4CHRM5
SCHEMBL8947190 0.99 FPR2 (0.35) FPR2EPHX1CHRM2CHRM4CHRM5
SCHEMBL8947302 0.98 FPR2 (0.34) FPR2EPHX1CHRM2CHRM4CHRM5
SCHEMBL8947179 0.97 FPR2 (0.37) FPR2EPHX1
SCHEMBL8947335 0.97 FPR2 (0.33) FPR2EPHX1CHRM2CHRM4CHRM5

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-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed