SCHEMBL8033957

SCHEMBL8033957

CC(C)CCC1CCC(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
CHRM4 P08173 1/20 0.39
GRM2 Q14416 1/20 0.39
KDM1A O60341 2/20 0.39
RCOR1 Q9UKL0 1/20 0.39
GPR88 Q9GZN0 1/20 0.38
LIPE Q05469 4/20 0.37
ESR2 Q92731 1/20 0.36
KIF11 P52732 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
MAOB P27338 1/20 0.36
SCN10A Q9Y5Y9 3/20 0.36
MMP12 P39900 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX2 P34913 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL8051859 0.92 L3MBTL1 (0.40) L3MBTL1CHRM4GRM2KDM1ARCOR1
SCHEMBL8044208 0.91 L3MBTL1 (0.40) L3MBTL1CHRM4GRM2KDM1ARCOR1
SCHEMBL8045439 0.89 L3MBTL1 (0.40) L3MBTL1GRM2KDM1ARCOR1GPR88
SCHEMBL8049139 0.88 L3MBTL1 (0.43) L3MBTL1CHRM4GRM2KDM1ARCOR1
SCHEMBL8561003 0.87 CHRM4 (0.39) L3MBTL1CHRM4KDM1ARCOR1GPR88
SCHEMBL5349198 0.85 CYP2C9 (0.49) L3MBTL1GRM2KDM1ARCOR1LIPE
SCHEMBL11287980 0.85 DRD2 (0.43) L3MBTL1ESR2MEN1KMT2A
SCHEMBL5349203 0.85 CYP2C9 (0.49) L3MBTL1GRM2KDM1ARCOR1LIPE
SCHEMBL8051965 0.85 LIPE (0.38) L3MBTL1CHRM4KDM1ARCOR1LIPE
SCHEMBL9061313 0.83 L3MBTL1 (0.45) L3MBTL1GRM2KDM1ARCOR1ESR2

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