SCHEMBL8959543

SCHEMBL8959543

C=CCCC1CCC(C2CCC(c3ccc(-c4ccc(-c5ccc(OCCCC)c(F)c5F)cc4)c(F)c3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
PPARD Q03181 2/20 0.32
CNR1 P21554 1/20 0.32
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
FASN P49327 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 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
SCHEMBL8959662 0.97 GABRA1 (0.33) CNR2GABRA1GABRB2PPARDCNR1
SCHEMBL8933627 0.97 CNR2 (0.35) CNR2GABRA1GABRB2PPARDCNR1
SCHEMBL8959598 0.97 GABRA1 (0.33) CNR2GABRA1GABRB2PPARDCNR1
SCHEMBL8959635 0.97 GABRA1 (0.33) CNR2GABRA1GABRB2PPARDCNR1
SCHEMBL8959829 0.97 GABRA1 (0.33) CNR2GABRA1GABRB2PPARDCNR1
SCHEMBL8959725 0.97 GABRA1 (0.33) CNR2GABRA1GABRB2PPARDCNR1
SCHEMBL8959525 0.96 GABRA1 (0.36) GABRA1GABRB2FASNCYP3A4CYP2C9
SCHEMBL8933657 0.95 GABRA1 (0.35) CNR2GABRA1GABRB2PPARDCNR1
SCHEMBL8960220 0.94 GABRA1 (0.32) CNR2GABRA1GABRB2FASNCYP3A4
SCHEMBL8933755 0.94 GABRA1 (0.34) CNR2GABRA1GABRB2PPARDCNR1

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