SCHEMBL8961771

SCHEMBL8961771

CCCCOc1ccc(-c2ccc(-c3ccc(C4CCC(C5CCC(CCC)CC5)CC4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.32
ALOX5AP P20292 4/20 0.32
FEN1 P39748 4/20 0.32
FPR2 P25090 2/20 0.32
HTR2C P28335 2/20 0.30
PPARG P37231 1/20 0.30
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

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
SCHEMBL8961770 0.97 FPR2 (0.33) SCN9AALOX5APFEN1FPR2
SCHEMBL8934890 0.97 SCN9A (0.34) SCN9AALOX5APFEN1FPR2HTR2C
SCHEMBL8961785 0.96 FPR2 (0.32) ALOX5APFEN1FPR2
SCHEMBL8961839 0.96 FPR2 (0.32) ALOX5APFEN1FPR2
SCHEMBL8961814 0.96 FPR2 (0.32) ALOX5APFEN1FPR2
SCHEMBL8961809 0.96 FPR2 (0.32) ALOX5APFEN1FPR2
SCHEMBL8962013 0.95 GAA (0.32) SCN9AALOX5APFEN1FPR2
SCHEMBL8961767 0.95 FPR2 (0.36) ALOX5APFEN1FPR2HTR2C
SCHEMBL8962172 0.94 GAA (0.34) SCN9AALOX5APFEN1FPR2
SCHEMBL8934892 0.94 FPR2 (0.34) SCN9AALOX5APFEN1FPR2PPARG

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