SCHEMBL8034576

SCHEMBL8034576

CC(C)CCCC1CCC(CCc2ccc(-c3ccc(OC(F)(F)F)cc3)c(F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.46
FFAR4 Q5NUL3 7/20 0.38
MOGAT2 Q3SYC2 1/20 0.36
PTGS2 P35354 1/20 0.36
MC4R P32245 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
CHRM4 P08173 1/20 0.35
MMP12 P39900 1/20 0.35
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34

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
SCHEMBL8048334 0.88 KCNH2 (0.40) GRM2FFAR4ALOX5APFEN1
SCHEMBL8043808 0.88 GRM2 (0.35) GRM2FFAR4
SCHEMBL8049218 0.87 CHRM4 (0.35) GRM2FFAR4MOGAT2MC4RCHRM4
SCHEMBL7770646 0.87 GRM2 (0.45) GRM2FFAR4MOGAT2ALOX5APFEN1
SCHEMBL7770648 0.87 GRM2 (0.45) GRM2FFAR4MOGAT2ALOX5APFEN1
SCHEMBL8559382 0.87 GRM2 (0.42) GRM2FFAR4CHRM4BACE1
SCHEMBL8043786 0.86 AKR1C3 (0.42) GRM2
SCHEMBL9358110 0.86 GRM2 (0.47) GRM2FFAR4ALOX5APFEN1MMP12
SCHEMBL9358114 0.86 GRM2 (0.47) GRM2FFAR4ALOX5APFEN1MMP12
SCHEMBL8044681 0.85 GRM2 (0.41) GRM2FFAR4PTGS2ALOX5APFEN1

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