SCHEMBL8936786

SCHEMBL8936786

C/C=C/C1CC=C(c2ccc(-c3ccc(-c4ccc(OCCC)c(F)c4F)cc3)c(F)c2)CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 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
SCHEMBL8936825 0.95 CCNT1 (0.32) ALOX5APFEN1CCNT1CDK9
SCHEMBL8936745 0.94 RARB (0.31) ALOX5APFEN1CCNT1CDK9
SCHEMBL8936787 0.94 RARB (0.33) ALOX5APFEN1
SCHEMBL8936866 0.94 RARB (0.33) ALOX5APFEN1
SCHEMBL8936819 0.94 RARB (0.33) ALOX5APFEN1
SCHEMBL8936814 0.94 RARB (0.33) ALOX5APFEN1
SCHEMBL8938048 0.93 GABRA1 (0.32) GABRA1GABRB2CCNT1CDK9
SCHEMBL8936770 0.93 NAAA (0.33)
SCHEMBL8964721 0.91 CCNT1 (0.30) GABRA1GABRB2CCNT1CDK9
SCHEMBL8939205 0.91 GABRA1 (0.33) GABRA1GABRB2

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