SCHEMBL8945376

SCHEMBL8945376

CCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(OCCCC)c(F)c4F)cc3)cc2F)CO1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.33
RARB P10826 2/20 0.32
RARA P10276 1/20 0.32
S1PR1 P21453 1/20 0.32
SCN9A Q15858 1/20 0.31
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
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL8945459 0.99 FPR2 (0.33) FPR2RARBRARAS1PR1SCN9A
SCHEMBL8945138 0.98 FPR2 (0.35) FPR2RARBRARAS1PR1SLC6A2
SCHEMBL8945223 0.97 FPR2 (0.35) FPR2RARBRARA
SCHEMBL8945748 0.97 FPR2 (0.35) FPR2RARBRARA
SCHEMBL8945390 0.97 FPR2 (0.35) FPR2RARBRARA
SCHEMBL8945751 0.97 FPR2 (0.35) FPR2RARBRARA
SCHEMBL8945439 0.97 FPR2 (0.35) FPR2RARBRARA
SCHEMBL8945229 0.97 FPR2 (0.35) FPR2RARBRARA
SCHEMBL8945284 0.97 FPR2 (0.35) FPR2RARBRARA
SCHEMBL8945797 0.97 FPR2 (0.35) FPR2RARBRARA

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