SCHEMBL8947442

SCHEMBL8947442

C=CC1CCC(c2ccc(-c3ccc(-c4ccc(OCCCCCC)c(F)c4F)cc3)c(F)c2F)CO1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
CNR2 P34972 2/20 0.35
FPR2 P25090 6/20 0.34
CNR1 P21554 1/20 0.33
SPHK2 Q9NRA0 2/20 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
SCHEMBL8947449 1.00 GABRA1 (0.36) GABRA1GABRB2CNR2FPR2CNR1
SCHEMBL8947455 1.00 GABRA1 (0.36) GABRA1GABRB2CNR2FPR2CNR1
SCHEMBL8947445 1.00 GABRA1 (0.36) GABRA1GABRB2CNR2FPR2CNR1
SCHEMBL8947437 0.99 GABRA1 (0.36) GABRA1GABRB2CNR2FPR2CNR1
SCHEMBL8947434 0.96 CNR2 (0.36) GABRA1GABRB2CNR2FPR2CNR1
SCHEMBL8947428 0.93 GABRA1 (0.39) GABRA1GABRB2CNR2FPR2
SCHEMBL8945694 0.92 GABRA1 (0.35) GABRA1GABRB2CNR2FPR2CNR1
SCHEMBL8945736 0.92 GABRA1 (0.35) GABRA1GABRB2CNR2FPR2CNR1
SCHEMBL8945944 0.92 GABRA1 (0.35) GABRA1GABRB2CNR2FPR2CNR1
SCHEMBL8945717 0.92 GABRA1 (0.35) GABRA1GABRB2CNR2FPR2CNR1

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