SCHEMBL8934382

SCHEMBL8934382

C=CC1CCC(c2ccc(-c3ccc(-c4ccc(OCCCC)c(F)c4F)cc3)cc2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
RARB P10826 2/20 0.34
RARA P10276 1/20 0.34
CNR1 P21554 1/20 0.34
SCN9A Q15858 1/20 0.34
S1PR1 P21453 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31
FFAR4 Q5NUL3 3/20 0.31
FFAR1 O14842 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
ALOX5AP P20292 2/20 0.30
FEN1 P39748 2/20 0.30
PTGDR Q13258 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
FPR2 P25090 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
SCHEMBL8961175 0.97 CNR2 (0.35) CNR2GABRA1GABRB2RARBRARA
SCHEMBL8934314 0.97 GABRA1 (0.36) CNR2GABRA1GABRB2RARBRARA
SCHEMBL8934252 0.96 GABRA1 (0.36) CNR2GABRA1GABRB2RARBRARA
SCHEMBL8934288 0.96 GABRA1 (0.36) CNR2GABRA1GABRB2RARBRARA
SCHEMBL8934387 0.96 GABRA1 (0.36) CNR2GABRA1GABRB2RARBRARA
SCHEMBL8934330 0.96 GABRA1 (0.36) CNR2GABRA1GABRB2RARBRARA
SCHEMBL8934379 0.95 GABRA1 (0.39) CNR2GABRA1GABRB2FFAR4ALOX5AP
SCHEMBL8961178 0.94 GABRA1 (0.35) CNR2GABRA1GABRB2RARBRARA
SCHEMBL8961333 0.94 GABRA1 (0.34) CNR2GABRA1GABRB2RARBRARA
SCHEMBL8961225 0.94 GABRA1 (0.34) CNR2GABRA1GABRB2RARBRARA

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