SCHEMBL8937164

SCHEMBL8937164

C=CCCOc1ccc(-c2ccc(-c3ccc(C4=CCC(C)CC4)cc3F)cc2)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 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
SCHEMBL8937173 0.96 ALOX5AP (0.31) ALOX5APFEN1GABRA1GABRB2
SCHEMBL8938559 0.93 GABRA1 (0.30) GABRA1GABRB2
SCHEMBL8937160 0.90 HTR2C (0.35)
SCHEMBL8938578 0.90 HRH3 (0.30) GABRA1GABRB2
SCHEMBL12999726 0.87 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL10163944 0.87 NAAA (0.35) ALOX5APFEN1
SCHEMBL15255887 0.86 RARB (0.33) ALOX5APFEN1
SCHEMBL12999887 0.85 MMP2 (0.30)
SCHEMBL15255893 0.85 CCNT1 (0.34) GABRA1GABRB2
SCHEMBL8937167 0.83

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