SCHEMBL15433442

SCHEMBL15433442

COC/C(F)=C(\F)c1ccc(-c2ccc(C3CCC(c4cc(F)c(C(F)(F)F)c(F)c4)CC3)c(F)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.35
SLC9A1 P19634 1/20 0.35
CYP2C19 P33261 1/20 0.35
OPRL1 P41146 1/20 0.34
KIF11 P52732 1/20 0.31
GRM2 Q14416 1/20 0.31
PTGDR Q13258 1/20 0.30
PTGDR2 Q9Y5Y4 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
SCHEMBL15433458 0.78 SLC9A1 (0.31) SLC9A1
SCHEMBL15433586 0.78 OPRL1 (0.36) CYP2C9OPRL1GRM2
SCHEMBL15433229 0.76 ALDH1A1 (0.34) CYP2C9SLC9A1CYP2C19
SCHEMBL15433216 0.75 GRM2 (0.32) CYP2C9SLC9A1CYP2C19OPRL1GRM2
SCHEMBL15433574 0.75 KIF11 (0.33) KIF11
SCHEMBL15433655 0.74 KIF11 (0.30) KIF11
SCHEMBL15433281 0.74 PPARD (0.34) KIF11PTGDR2
SCHEMBL15433402 0.73 DGAT1 (0.31) OPRL1PTGDRPTGDR2
SCHEMBL15433217 0.73 CYP2C9 (0.38) CYP2C9SLC9A1
SCHEMBL15433847 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8956551-B2 Liquid crystal compound having fluorovinyl group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-02-17 US disclosed
US-8956551-B2 Liquid crystal compound having fluorovinyl group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-02-17 US disclosed
US-20140021406-A1 LIQUID CRYSTAL COMPOUND HAVING FLUOROVINYL GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-01-23 US disclosed
US-20140021406-A1 LIQUID CRYSTAL COMPOUND HAVING FLUOROVINYL GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-01-23 US disclosed