SCHEMBL8034752

SCHEMBL8034752

CCC(C)CCC1CCC(c2ccc(-c3ccc(OC(F)(F)F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.36
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
PDE2A O00408 4/20 0.35
CTSK P43235 1/20 0.34
NAAA Q02083 1/20 0.34
APP P05067 1/20 0.33
GRM2 Q14416 4/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
FASN P49327 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
SCHEMBL8046626 0.91 EPHX2 (0.40) EPHX2PDE2A
SCHEMBL8045228 0.90 EPHX2 (0.38) EPHX2PDE2ACTSKNAAAGRM2
SCHEMBL8034519 0.89 EPHX2 (0.39) EPHX2PDE2A
SCHEMBL8052175 0.88 EPHX2 (0.39) EPHX2PDE2ACTSKNAAAGRM2
SCHEMBL8034044 0.88 GRM2 (0.41) EPHX2ALOX5APFEN1PDE2AAPP
SCHEMBL8046216 0.88 APP (0.32) APPGRM2CYP3A4CYP2C9FASN
SCHEMBL8044555 0.87 EPHX2 (0.36) EPHX2ALOX5APFEN1PDE2ACTSK
SCHEMBL8046206 0.85 CYP11B1 (0.38) APPFASN
SCHEMBL8767059 0.84 CTSK (0.38) EPHX2ALOX5APFEN1PDE2ACTSK
SCHEMBL8767055 0.84 CTSK (0.38) EPHX2ALOX5APFEN1PDE2ACTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733692-B1 Liquid crystalline compound, liquid crystal composition containing the same, and display device CHISSO CORP (JP) 2000-06-14 EP disclosed
US-5714088-A TRIFLUOROMETHYL- OR -METHOXYPHENYL-SUBSTITUTED BRANCHED ALKYL-SUBSTITUTED CYCLOHEXANES; LARGE POSITIVE VALUE OF DIELECTRIC ANISOTROPY; VERY LOW VISCOSITY; HIGH VOLTAGE HOLDING RATIO(SPECIFIC RESISTANCE); UV STABILITY CHISSO CORPORATION (JP) 1998-02-03 US disclosed
EP-0733692-A1 Liquid crystalline compound, liquid crystal composition containing the same, and display device Chisso Corporation (JP) 1996-09-25 EP disclosed