SCHEMBL15726802

SCHEMBL15726802

C/C=C/Oc1ccc(CCc2ccc(C3CCC(c4ccc(C)cc4)CC3)cc2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.32
AOC3 Q16853 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CCR5 P51681 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL15723098 0.91 ESR2 (0.35) SPHK1FFAR4
SCHEMBL15722989 0.89 CYP1A2 (0.33)
SCHEMBL15723107 0.88 SPHK1 (0.30) SPHK1
SCHEMBL15723184 0.88 SPHK1 (0.47) SPHK1FFAR4
SCHEMBL15723108 0.88 ESR2 (0.32) AOC3MEN1KMT2A
SCHEMBL15723112 0.87 CYP2C9 (0.38) SPHK1AOC3MEN1KMT2A
SCHEMBL15726851 0.86 FFAR4 (0.31) FFAR4
SCHEMBL15726800 0.86 FFAR4 (0.31) FFAR4
SCHEMBL15726803 0.85
SCHEMBL15723182 0.84 CYP2C9 (0.36) SPHK1AOC3MEN1KMT2AFFAR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193907-B2 Liquid crystal compound having vinyloxy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-11-24 US disclosed
US-20140138582-A1 LIQUID CRYSTAL COMPOUND HAVING VINYLOXY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-05-22 US disclosed