SCHEMBL8947057

SCHEMBL8947057

CCCCOc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)OC4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 9/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
RARB P10826 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
SCHEMBL8946940 0.97 FPR2 (0.36) FPR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL8946932 0.96 FPR2 (0.35) FPR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL8946909 0.96 FPR2 (0.35) FPR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL8946902 0.96 FPR2 (0.35) FPR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL8947302 0.95 FPR2 (0.34) FPR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL8947034 0.95 FPR2 (0.38) FPR2
SCHEMBL8947335 0.94 FPR2 (0.33) FPR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL8947315 0.93 FPR2 (0.36) FPR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL8946949 0.93 FPR2 (0.37) FPR2
SCHEMBL8947351 0.92 FPR2 (0.35) FPR2CHRM2CHRM4CHRM5CHRM1

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