SCHEMBL8044208

SCHEMBL8044208

CC(C)CCCCC1CCC(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
CHRM4 P08173 1/20 0.37
GRM2 Q14416 1/20 0.37
KDM1A O60341 2/20 0.36
RCOR1 Q9UKL0 1/20 0.36
GPR88 Q9GZN0 1/20 0.36
LIPE Q05469 4/20 0.35
RARB P10826 1/20 0.34
MAOB P27338 1/20 0.34
ESR2 Q92731 1/20 0.34
KIF11 P52732 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
SCN10A Q9Y5Y9 3/20 0.34
MMP12 P39900 1/20 0.34
P2RY14 Q15391 1/20 0.33

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 0.96 L3MBTL1 (0.40) L3MBTL1CHRM4GRM2KDM1ARCOR1
SCHEMBL8561003 0.91 CHRM4 (0.39) L3MBTL1CHRM4KDM1ARCOR1GPR88
SCHEMBL8033957 0.91 L3MBTL1 (0.42) L3MBTL1CHRM4GRM2KDM1ARCOR1
SCHEMBL8051965 0.89 LIPE (0.38) L3MBTL1CHRM4KDM1ARCOR1LIPE
SCHEMBL8565199 0.87 CHRM4 (0.37) CHRM4KDM1ARCOR1LIPE
SCHEMBL4801515 0.86 L3MBTL1 (0.42) L3MBTL1GRM2KDM1ARCOR1MAOB
SCHEMBL4801521 0.86 L3MBTL1 (0.42) L3MBTL1GRM2KDM1ARCOR1MAOB
SCHEMBL9060328 0.85 L3MBTL1 (0.41) L3MBTL1KDM1ARCOR1
SCHEMBL9061970 0.85 L3MBTL1 (0.41) L3MBTL1KDM1ARCOR1
SCHEMBL9061963 0.85 L3MBTL1 (0.41) L3MBTL1KDM1ARCOR1

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