SCHEMBL8935635

SCHEMBL8935635

C=CCCC1CCC(c2ccc(-c3ccc(-c4ccc(OCCCC)c(F)c4F)cc3)c(F)c2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.35
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CNR1 P21554 1/20 0.33
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
SCN9A Q15858 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL8963123 0.97 CNR2 (0.33) CNR2GABRA1GABRB2CNR1PTGES
SCHEMBL8935646 0.97 GABRA1 (0.35) CNR2GABRA1GABRB2CNR1ALOX5AP
SCHEMBL8935681 0.96 GABRA1 (0.34) CNR2GABRA1GABRB2CNR1FPR2
SCHEMBL8935663 0.96 GABRA1 (0.34) CNR2GABRA1GABRB2CNR1FPR2
SCHEMBL8935649 0.96 GABRA1 (0.34) CNR2GABRA1GABRB2CNR1FPR2
SCHEMBL8935643 0.96 GABRA1 (0.34) CNR2GABRA1GABRB2CNR1FPR2
SCHEMBL8935632 0.95 GABRA1 (0.38) GABRA1GABRB2ALOX5APFEN1FPR2
SCHEMBL19985564 0.95 PTGES (0.33) CNR2GABRA1GABRB2CNR1PTGES
SCHEMBL8963328 0.94 GABRA1 (0.33) CNR2GABRA1GABRB2CNR1FPR2
SCHEMBL8963180 0.93 GABRA1 (0.33) CNR2GABRA1GABRB2CNR1FPR2

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