SCHEMBL8945178

SCHEMBL8945178

CCCCOc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)OC4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.33
RARA P10276 1/20 0.33
FPR2 P25090 3/20 0.32
S1PR1 P21453 1/20 0.32
SCN9A Q15858 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
FFAR4 Q5NUL3 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL8944909 0.97 FPR2 (0.35) RARBRARAFPR2S1PR1
SCHEMBL8945037 0.96 FPR2 (0.35) RARBRARAFPR2
SCHEMBL8945027 0.96 FPR2 (0.35) RARBRARAFPR2
SCHEMBL8945183 0.96 FPR2 (0.35) RARBRARAFPR2
SCHEMBL8945052 0.96 FPR2 (0.35) RARBRARAFPR2
SCHEMBL18718404 0.96 FPR2 (0.35) RARBRARAFPR2SCN9ACHRM2
SCHEMBL8945376 0.95 FPR2 (0.33) RARBRARAFPR2S1PR1SCN9A
SCHEMBL8944839 0.95 FPR2 (0.36) FPR2FFAR4
SCHEMBL8945459 0.95 FPR2 (0.33) RARBRARAFPR2S1PR1SCN9A
SCHEMBL8945138 0.94 FPR2 (0.35) RARBRARAFPR2S1PR1

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