SCHEMBL8046202

SCHEMBL8046202

CCC(C)CCC1CCC(c2ccc(-c3cc(F)c(OC(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
ESR2 Q92731 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL8046216 0.89 APP (0.32) CYP2C9CHRM2CHRM5CHRM1CHRM3
SCHEMBL8045228 0.88 EPHX2 (0.38) CHRM2CHRM5CHRM1CHRM3
SCHEMBL8043174 0.88 EPHX2 (0.32) CHRM2CHRM5CHRM1CHRM3
SCHEMBL8045178 0.87 FFAR4 (0.33) CYP2C9CHRM2CHRM5CHRM1CHRM3
SCHEMBL8046553 0.87 FFAR4 (0.33) CHRM2CHRM5CHRM1CHRM3FFAR4
SCHEMBL8046242 0.87
SCHEMBL8045321 0.86 CYP2C9 (0.34) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL17190570 0.86 CYP2C9 (0.44) CYP2C9CHRM2CHRM5CHRM1CHRM3
SCHEMBL17070209 0.86 CYP2C9 (0.44) CYP2C9CHRM2CHRM5CHRM1CHRM3
SCHEMBL8045186 0.86 CHRM2 (0.32) CYP2C9CHRM2CHRM5CHRM1CHRM3

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