SCHEMBL8934445

SCHEMBL8934445

C/C=C/C1CCC(c2ccc(-c3ccc(-c4ccc(OCCCC)c(F)c4F)cc3)cc2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.34
RARA P10276 1/20 0.34
SCN9A Q15858 1/20 0.34
S1PR1 P21453 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31
FFAR4 Q5NUL3 2/20 0.31
CNR2 P34972 2/20 0.30
CNR1 P21554 1/20 0.30
FFAR1 O14842 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
SCHEMBL8961357 0.97 SCN9A (0.33) RARBRARASCN9AS1PR1
SCHEMBL8934436 0.97 FPR2 (0.33) RARBRARASCN9AS1PR1HRH3
SCHEMBL8934435 0.96 PTPN11 (0.34) RARBRARASCN9AS1PR1HRH3
SCHEMBL8934452 0.96 PTPN11 (0.34) RARBRARASCN9AS1PR1HRH3
SCHEMBL8934447 0.96 PTPN11 (0.34) RARBRARASCN9AS1PR1HRH3
SCHEMBL8934455 0.96 PTPN11 (0.34) RARBRARASCN9AS1PR1HRH3
SCHEMBL8934423 0.95 FPR2 (0.33) FFAR4
SCHEMBL8961461 0.94 FPR2 (0.31) RARBRARASCN9A
SCHEMBL8961349 0.94 PTPN11 (0.32) SCN9A
SCHEMBL8961297 0.94 PTPN11 (0.32) SCN9A

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