SCHEMBL8048753

SCHEMBL8048753

CCC(C)CCC1CCC(c2ccc(CCc3ccc(OC(F)(F)F)cc3)c(F)c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.34
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
CHRM4 P08173 1/20 0.33
DAO P14920 1/20 0.32
TSHR P16473 1/20 0.32
KCNA5 P22460 1/20 0.32
KCNH2 Q12809 1/20 0.32
GPR39 O43194 1/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
SCN9A Q15858 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
DRD3 P35462 2/20 0.32
HRH3 Q9Y5N1 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
PDE2A O00408 1/20 0.31

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
SCHEMBL8569322 0.90 EPHX2 (0.38) EPHX2KDM1ARCOR1DAOTSHR
SCHEMBL8048717 0.90 KCNH2 (0.37) EPHX2KCNH2HCRTR1HCRTR2PDE2A
SCHEMBL8049212 0.89 CHRM2 (0.31)
SCHEMBL8049143 0.89 EPHX2 (0.38) EPHX2CHRM4DAOTSHRSLC6A4
SCHEMBL8052323 0.88 MEN1 (0.34) DAOKCNH2SLC6A4SLC6A3DRD2
SCHEMBL8748005 0.88 CYP2C9 (0.38) EPHX2KDM1ARCOR1DAOTSHR
SCHEMBL8034567 0.87 EPHX2 (0.35) EPHX2KDM1ARCOR1CHRM4DAO
SCHEMBL8748035 0.86 SPHK1 (0.37) EPHX2KDM1ARCOR1DAOTSHR
SCHEMBL8747945 0.85 SPHK1 (0.39) KDM1ARCOR1DAOTSHR
SCHEMBL8045285 0.84 KDM1A (0.34) EPHX2KDM1ADAOKCNH2HCRTR1

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