SCHEMBL8045186

SCHEMBL8045186

CC(C)CCCC1CCC(c2ccc(-c3cc(F)c(OC(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
ESR2 Q92731 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CYP2C9 P11712 1/20 0.30
APP P05067 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
SCHEMBL8044832 0.88 APP (0.33) CHRM2CHRM5CHRM1CHRM3FFAR4
SCHEMBL8049112 0.88 CTSK (0.37) CHRM2CHRM5CHRM1CHRM3
SCHEMBL8045793 0.87 CHRM2 (0.32) CHRM2CHRM5CHRM1CHRM3
SCHEMBL8034698 0.87 FFAR4 (0.34) CHRM2CHRM5CHRM1CHRM3ESR2
SCHEMBL8045361 0.87 CHRM2 (0.30) CHRM2CHRM5CHRM1CHRM3
SCHEMBL8034372 0.87 FFAR4 (0.34) CHRM2CHRM5CHRM1CHRM3FFAR4
SCHEMBL8034581 0.86 ESR2 (0.34) ESR2CYP2C9APP
SCHEMBL8046202 0.86 CYP2C9 (0.32) CHRM2CHRM5CHRM1CHRM3ESR2
SCHEMBL17190570 0.85 CYP2C9 (0.44) CHRM2CHRM5CHRM1CHRM3ESR2
SCHEMBL17070209 0.85 CYP2C9 (0.44) CHRM2CHRM5CHRM1CHRM3ESR2

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