SCHEMBL8963123

SCHEMBL8963123

C=CCCC1CCC(C2CCC(c3ccc(-c4ccc(-c5ccc(OCCCC)c(F)c5F)cc4)c(F)c3F)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
CNR1 P21554 1/20 0.32
PTGES O14684 1/20 0.31
ALOX5 P09917 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
SCHEMBL8963328 0.97 GABRA1 (0.33) CNR2GABRA1GABRB2CNR1
SCHEMBL8935635 0.97 CNR2 (0.35) CNR2GABRA1GABRB2CNR1PTGES
SCHEMBL8963219 0.96 GABRA1 (0.33) CNR2GABRA1GABRB2CNR1
SCHEMBL8963396 0.96 GABRA1 (0.33) CNR2GABRA1GABRB2CNR1
SCHEMBL8963398 0.96 GABRA1 (0.33) CNR2GABRA1GABRB2CNR1
SCHEMBL8963180 0.96 GABRA1 (0.33) CNR2GABRA1GABRB2CNR1
SCHEMBL8963322 0.95 GABRA1 (0.36) GABRA1GABRB2
SCHEMBL8935646 0.94 GABRA1 (0.35) CNR2GABRA1GABRB2CNR1
SCHEMBL8935643 0.93 GABRA1 (0.34) CNR2GABRA1GABRB2CNR1
SCHEMBL8935663 0.93 GABRA1 (0.34) CNR2GABRA1GABRB2CNR1

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