SCHEMBL8934323

SCHEMBL8934323

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

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.33
FFAR4 Q5NUL3 3/20 0.33
FPR2 P25090 2/20 0.33
S1PR1 P21453 1/20 0.33
DGAT1 O75907 1/20 0.33
SCN9A Q15858 1/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
PTPN11 Q06124 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL8934150 0.99 OPRL1 (0.33) OPRL1FFAR4FPR2S1PR1DGAT1
SCHEMBL8960600 0.97 FFAR4 (0.32) OPRL1FFAR4FPR2S1PR1DGAT1
SCHEMBL8934119 0.97 OPRL1 (0.34) OPRL1FFAR4FPR2S1PR1DGAT1
SCHEMBL8934128 0.97 S1PR1 (0.35) OPRL1FFAR4FPR2S1PR1DGAT1
SCHEMBL8961039 0.96 FFAR4 (0.32) OPRL1FFAR4FPR2S1PR1DGAT1
SCHEMBL8934130 0.96 PTPN11 (0.35) OPRL1FFAR4FPR2S1PR1DGAT1
SCHEMBL8934171 0.96 S1PR1 (0.35) OPRL1FFAR4FPR2S1PR1DGAT1
SCHEMBL8934153 0.96 PTPN11 (0.35) OPRL1FFAR4FPR2S1PR1DGAT1
SCHEMBL8934291 0.96 PTPN11 (0.35) OPRL1FFAR4FPR2S1PR1DGAT1
SCHEMBL8934246 0.96 PTPN11 (0.35) OPRL1FFAR4FPR2S1PR1DGAT1

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