SCHEMBL8044790

SCHEMBL8044790

CC(C)CCCC1CCC(c2ccc(CCc3cc(F)c(OC(F)(F)F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL8034698 0.90 FFAR4 (0.34) CHRM2CHRM5CHRM1CHRM3FFAR4
SCHEMBL8034567 0.89 EPHX2 (0.35) FFAR4
SCHEMBL8747943 0.89 FFAR4 (0.33) FFAR4
SCHEMBL8048566 0.89 KCNH2 (0.39) CHRM2CHRM5
SCHEMBL8747903 0.88 SPHK1 (0.33) FFAR4
SCHEMBL8049212 0.87 CHRM2 (0.31) CHRM2CHRM5CHRM1CHRM3FFAR4
SCHEMBL8748023 0.87 SPHK1 (0.35) FFAR4
SCHEMBL8747923 0.87 SPHK1 (0.35) FFAR4
SCHEMBL8045182 0.87 CHRM2 (0.31) CHRM2CHRM5CHRM1CHRM3FFAR4
SCHEMBL8034379 0.87 SLC6A2 (0.32)

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