SCHEMBL8960095

SCHEMBL8960095

C=CCCOc1ccc(-c2ccc(-c3ccc(C4CCC(C5CCC(CCCCC)CC5)CC4)cc3F)cc2)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CNR2 P34972 1/20 0.31
FASN P49327 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
SCHEMBL8960220 0.97 GABRA1 (0.32) GABRA1GABRB2CNR2FASN
SCHEMBL8934016 0.97 GABRA1 (0.33) GABRA1GABRB2CNR2FASN
SCHEMBL8933830 0.95 GABRA1 (0.33) GABRA1GABRB2CNR2FASN
SCHEMBL8959662 0.94 GABRA1 (0.33) GABRA1GABRB2CNR2FASN
SCHEMBL8959725 0.93 GABRA1 (0.33) GABRA1GABRB2CNR2FASN
SCHEMBL8959829 0.93 GABRA1 (0.33) GABRA1GABRB2CNR2FASN
SCHEMBL8959635 0.93 GABRA1 (0.33) GABRA1GABRB2CNR2FASN
SCHEMBL8959598 0.93 GABRA1 (0.33) GABRA1GABRB2CNR2FASN
SCHEMBL8959543 0.93 CNR2 (0.33) GABRA1GABRB2CNR2FASN
SCHEMBL8958840 0.92 PPARD (0.34) FASN

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