SCHEMBL8961357

SCHEMBL8961357

C/C=C/C1CCC(C2CCC(c3ccc(-c4ccc(-c5ccc(OCCCC)c(F)c5F)cc4)cc3F)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.33
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
S1PR1 P21453 1/20 0.32

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
SCHEMBL8961461 0.97 FPR2 (0.31) SCN9ARARARARB
SCHEMBL8934445 0.97 RARB (0.34) SCN9ARARARARBS1PR1
SCHEMBL8961414 0.96 PTPN11 (0.32) SCN9A
SCHEMBL8961435 0.96 PTPN11 (0.32) SCN9A
SCHEMBL8961349 0.96 PTPN11 (0.32) SCN9A
SCHEMBL8961297 0.96 PTPN11 (0.32) SCN9A
SCHEMBL8961363 0.95 FPR2 (0.32)
SCHEMBL8934436 0.94 FPR2 (0.33) SCN9ARARARARBS1PR1
SCHEMBL8934435 0.94 PTPN11 (0.34) SCN9ARARARARBS1PR1
SCHEMBL8934447 0.94 PTPN11 (0.34) SCN9ARARARARBS1PR1

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