SCHEMBL14766718

SCHEMBL14766718

C=CCCOc1ccc(OCc2ccc(-c3ccc(C4CCC(OCC)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.36
FFAR1 O14842 16/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
NAAA Q02083 1/20 0.35
F10 P00742 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL14767035 0.97 GABRA1 (0.34) PPARDFFAR1GABRA1GABRB2NAAA
SCHEMBL14767224 0.95 GABRA1 (0.35) PPARDFFAR1GABRA1GABRB2NAAA
SCHEMBL14766882 0.95 PPARD (0.36) PPARDFFAR1GABRA1GABRB2NAAA
SCHEMBL14766960 0.93 GABRA1 (0.35) PPARDFFAR1GABRA1GABRB2NAAA
SCHEMBL14766956 0.92 GYS1 (0.38) PPARDFFAR1GABRA1GABRB2NAAA
SCHEMBL14767295 0.92 FFAR1 (0.33) PPARDFFAR1GABRA1GABRB2NAAA
SCHEMBL14765789 0.92 GABRA1 (0.35) PPARDFFAR1GABRA1GABRB2NAAA
SCHEMBL12740879 0.91 FFAR1 (0.35) PPARDFFAR1F10PPARA
SCHEMBL14766767 0.91 NAAA (0.35) PPARDFFAR1GABRA1GABRB2NAAA
SCHEMBL14766755 0.90 GABRA1 (0.36) GABRA1GABRB2NAAA

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed