SCHEMBL8935112

SCHEMBL8935112

C=CC1CCC(c2ccc(-c3ccc(-c4ccc(OCCC)c(F)c4F)cc3)c(F)c2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
FPR2 P25090 11/20 0.36
ALOX5AP P20292 4/20 0.33
FEN1 P39748 4/20 0.33
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
HTR2A P28223 1/20 0.32
CNR2 P34972 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
SCHEMBL8962285 0.97 GABRA1 (0.38) GABRA1GABRB2FPR2ALOX5APFEN1
SCHEMBL8935125 0.94 CNR2 (0.37) GABRA1GABRB2FPR2ALOX5APFEN1
SCHEMBL19985531 0.94 GABRA1 (0.38) GABRA1GABRB2FPR2ALOX5APFEN1
SCHEMBL8935131 0.94 GABRA1 (0.37) GABRA1GABRB2FPR2ALOX5APFEN1
SCHEMBL8935139 0.93 GABRA1 (0.36) GABRA1GABRB2FPR2ALOX5APFEN1
SCHEMBL8935140 0.93 GABRA1 (0.36) GABRA1GABRB2FPR2ALOX5APFEN1
SCHEMBL8935144 0.93 GABRA1 (0.36) GABRA1GABRB2FPR2ALOX5APFEN1
SCHEMBL8935132 0.93 GABRA1 (0.36) GABRA1GABRB2FPR2ALOX5APFEN1
SCHEMBL8935110 0.92 FPR2 (0.35) GABRA1GABRB2FPR2ALOX5APFEN1
SCHEMBL20888565 0.92 GABRA1 (0.38) GABRA1GABRB2FPR2HTR2CHTR2B

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