SCHEMBL14766960

SCHEMBL14766960

C=CCCCOc1ccc(OCc2ccc(-c3ccc(C4CCC(OCCCC)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CNR2 P34972 2/20 0.35
FFAR1 O14842 14/20 0.35
PPARD Q03181 12/20 0.35
NAAA Q02083 1/20 0.33
CNR1 P21554 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
F10 P00742 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
SCHEMBL14767224 0.98 GABRA1 (0.35) GABRA1GABRB2CNR2FFAR1PPARD
SCHEMBL14766799 0.97 FFAR1 (0.34) GABRA1GABRB2CNR2FFAR1PPARD
SCHEMBL14766790 0.95 GABRA1 (0.35) GABRA1GABRB2CNR2FFAR1PPARD
SCHEMBL14767295 0.94 FFAR1 (0.33) GABRA1GABRB2CNR2FFAR1PPARD
SCHEMBL14767111 0.94 FFAR1 (0.38) FFAR1PPARDNAAAFFAR4F10
SCHEMBL14766837 0.93 GABRA1 (0.35) GABRA1GABRB2CNR2FFAR1PPARD
SCHEMBL14766718 0.93 PPARD (0.36) GABRA1GABRB2FFAR1PPARDNAAA
SCHEMBL14767037 0.92 FFAR1 (0.38) FFAR1PPARDNAAAFFAR4F10
SCHEMBL14766964 0.92 FFAR1 (0.39) FFAR1PPARDNAAAFFAR4F10
SCHEMBL14767059 0.92 GABRA1 (0.36) GABRA1GABRB2CNR2NAAACNR1

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