SCHEMBL8934890

SCHEMBL8934890

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

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.34
ALOX5AP P20292 6/20 0.33
FEN1 P39748 6/20 0.33
FPR2 P25090 4/20 0.33
HTR2C P28335 2/20 0.31
PPARG P37231 1/20 0.31
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
CYP2C9 P11712 1/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
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
SCHEMBL8961771 0.97 SCN9A (0.32) SCN9AALOX5APFEN1FPR2HTR2C
SCHEMBL8934892 0.97 FPR2 (0.34) SCN9AALOX5APFEN1FPR2PPARG
SCHEMBL8934895 0.96 FPR2 (0.34) SCN9AALOX5APFEN1FPR2PPARG
SCHEMBL8934898 0.96 FPR2 (0.34) SCN9AALOX5APFEN1FPR2PPARG
SCHEMBL8934897 0.96 FPR2 (0.34) SCN9AALOX5APFEN1FPR2PPARG
SCHEMBL8934894 0.96 FPR2 (0.34) SCN9AALOX5APFEN1FPR2PPARG
SCHEMBL8934964 0.94 GAA (0.34) SCN9AALOX5APFEN1FPR2HTR2C
SCHEMBL8934891 0.94 FPR2 (0.37) ALOX5APFEN1FPR2HTR2CCYP2C9
SCHEMBL19985483 0.94 SCN9A (0.35) SCN9AALOX5APFEN1FPR2PPARG
SCHEMBL8961770 0.94 FPR2 (0.33) SCN9AALOX5APFEN1FPR2

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