SCHEMBL8942790

SCHEMBL8942790

C=CC1CCC(c2ccc(-c3ccc(-c4ccc(OCCCCC)c(F)c4F)cc3)c(F)c2F)OC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.32
FPR2 P25090 2/20 0.32

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
SCHEMBL8943084 0.99 GABRA1 (0.34) GABRA1GABRB2CNR2CNR1FPR2
SCHEMBL8942774 0.99 GABRA1 (0.34) GABRA1GABRB2CNR2CNR1FPR2
SCHEMBL8942777 0.99 GABRA1 (0.34) GABRA1GABRB2CNR2CNR1FPR2
SCHEMBL8943079 0.99 GABRA1 (0.34) GABRA1GABRB2CNR2CNR1FPR2
SCHEMBL8942757 0.97 CNR2 (0.35) GABRA1GABRB2CNR2CNR1FPR2
SCHEMBL8943064 0.94 GABRA1 (0.38) GABRA1GABRB2FPR2
SCHEMBL8941412 0.93 GABRA1 (0.34) GABRA1GABRB2CNR2CNR1FPR2
SCHEMBL8941456 0.92 PTPN11 (0.34) GABRA1GABRB2CNR2CNR1FPR2
SCHEMBL8941332 0.92 PTPN11 (0.34) GABRA1GABRB2CNR2CNR1FPR2
SCHEMBL8941428 0.92 PTPN11 (0.34) GABRA1GABRB2CNR2CNR1FPR2

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