SCHEMBL15433862

SCHEMBL15433862

CCCC/C(F)=C(\F)c1ccc(C2CCC(C3CCC(C4CCC(CCc5cc(F)c(F)c(F)c5)CC4)CC3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
SPHK1 Q9NYA1 6/20 0.33
ESR2 Q92731 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL15433721 0.91 CYP2C9 (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL15433855 0.91 CYP2C9 (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7240968 0.85 CYP2C9 (0.53) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8433516 0.85 CYP2C9 (0.53) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL15433700 0.84 SPHK1 (0.33) SPHK1
SCHEMBL15433299 0.82 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7232271 0.81 CYP2C9 (0.57) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL15433689 0.81 SPHK1 (0.36) CYP2C9ALDH1A1LMNAMAPTSPHK1
SCHEMBL7229916 0.81 CYP2C9 (0.51) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7229920 0.81 CYP2C9 (0.51) CYP2C9ALDH1A1LMNAMAPTMEN1

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