SCHEMBL8934128

SCHEMBL8934128

CCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(OCCCC)c(F)c4F)cc3)cc2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.35
RARB P10826 2/20 0.35
RARA P10276 1/20 0.35
SCN9A Q15858 1/20 0.35
OPRL1 P41146 8/20 0.34
FFAR4 Q5NUL3 2/20 0.34
DGAT1 O75907 1/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
FPR2 P25090 1/20 0.32
PTPN11 Q06124 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL8934171 0.99 S1PR1 (0.35) S1PR1RARBRARASCN9AOPRL1
SCHEMBL8934119 0.98 OPRL1 (0.34) S1PR1RARBRARASCN9AOPRL1
SCHEMBL8960538 0.97 S1PR1 (0.34) S1PR1RARBRARASCN9AOPRL1
SCHEMBL8934039 0.97 PTPN11 (0.35) S1PR1RARBRARASCN9AOPRL1
SCHEMBL8934291 0.97 PTPN11 (0.35) S1PR1RARBRARASCN9AOPRL1
SCHEMBL8934246 0.97 PTPN11 (0.35) S1PR1RARBRARASCN9AOPRL1
SCHEMBL8934028 0.97 PTPN11 (0.35) S1PR1RARBRARASCN9AOPRL1
SCHEMBL8934153 0.97 PTPN11 (0.35) S1PR1RARBRARASCN9AOPRL1
SCHEMBL8934130 0.97 PTPN11 (0.35) S1PR1RARBRARASCN9AOPRL1
SCHEMBL8934249 0.97 PTPN11 (0.35) S1PR1RARBRARASCN9AOPRL1

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