SCHEMBL8943274

SCHEMBL8943274

C=CCCC1CCC(c2ccc(-c3ccc(-c4ccc(OCCCCC)c(F)c4F)cc3)c(F)c2F)OC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.31
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
SCHEMBL8943074 0.99 GABRA1 (0.33) GABRA1GABRB2CNR2CNR1
SCHEMBL8942983 0.99 GABRA1 (0.33) GABRA1GABRB2CNR2CNR1
SCHEMBL8942976 0.99 GABRA1 (0.33) GABRA1GABRB2CNR2CNR1
SCHEMBL8942973 0.99 GABRA1 (0.33) GABRA1GABRB2CNR2CNR1
SCHEMBL8943256 0.97 CNR2 (0.33) GABRA1GABRB2CNR2CNR1
SCHEMBL8943420 0.94 GABRA1 (0.36) GABRA1GABRB2FPR2
SCHEMBL8943187 0.94 GABRA1 (0.31) GABRA1GABRB2CNR2
SCHEMBL8941963 0.93 GABRA1 (0.32) GABRA1GABRB2CNR2CNR1FPR2
SCHEMBL8943538 0.93 GABRA1 (0.31) GABRA1GABRB2CNR2
SCHEMBL8942008 0.93 PTPN11 (0.32) GABRA1GABRB2CNR2FPR2

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