SCHEMBL14766844

SCHEMBL14766844

C=CCCOc1ccc(COC2CCC(c3ccc(-c4ccc(OCC)cc4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
NAAA Q02083 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL14766208 1.00 GABRA1 (0.33) GABRA1GABRB2NAAAFFAR4
SCHEMBL14765952 0.95 GABRA1 (0.33) GABRA1GABRB2FFAR4
SCHEMBL14767102 0.95 GABRA1 (0.33) GABRA1GABRB2FFAR4
SCHEMBL14765988 0.95 FFAR4 (0.35) GABRA1GABRB2FFAR4
SCHEMBL14766988 0.95 FFAR4 (0.35) GABRA1GABRB2FFAR4
SCHEMBL14766649 0.92 GABRA1 (0.34) GABRA1GABRB2NAAAFFAR4
SCHEMBL14766244 0.92 GABRA1 (0.34) GABRA1GABRB2NAAAFFAR4
SCHEMBL14765863 0.92 GABRA1 (0.33) GABRA1GABRB2FFAR4
SCHEMBL14766068 0.91 FFAR4 (0.35) GABRA1GABRB2FFAR4
SCHEMBL14766738 0.91 FFAR4 (0.35) GABRA1GABRB2FFAR4

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