SCHEMBL8561003

SCHEMBL8561003

CC(C)CCCC1CCC(CCC2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.39
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
LIPE Q05469 4/20 0.37
EPHX2 P34913 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ESR2 Q92731 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2C9 P11712 1/20 0.35
ACACB O00763 2/20 0.34
GPR88 Q9GZN0 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
SCHEMBL8051965 0.95 LIPE (0.38) CHRM4KDM1ARCOR1LIPEEPHX2
SCHEMBL8051859 0.95 L3MBTL1 (0.40) CHRM4KDM1ARCOR1LIPEEPHX2
SCHEMBL8565199 0.93 CHRM4 (0.37) CHRM4KDM1ARCOR1LIPESLC6A4
SCHEMBL8044208 0.91 L3MBTL1 (0.40) CHRM4KDM1ARCOR1LIPEL3MBTL1
SCHEMBL8033957 0.87 L3MBTL1 (0.42) CHRM4KDM1ARCOR1LIPEEPHX2
SCHEMBL8044681 0.84 GRM2 (0.41) CHRM4KDM1ARCOR1L3MBTL1CYP2C9
SCHEMBL8052426 0.84 CHRM4 (0.35) CHRM4LIPEEPHX2L3MBTL1GPR88
SCHEMBL9061117 0.83 KDM1A (0.45) KDM1ARCOR1EPHX2L3MBTL1ESR2
SCHEMBL8407553 0.83 KDM1A (0.45) KDM1ARCOR1EPHX2L3MBTL1ESR2
SCHEMBL8559819 0.83 KDM1A (0.40) KDM1ARCOR1LIPEEPHX2L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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