SCHEMBL8565199

SCHEMBL8565199

CC(C)CCCC1CCC(c2ccc(CCc3ccc(OC(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.37
KCNA5 P22460 1/20 0.36
KCNH2 Q12809 1/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
SCN9A Q15858 1/20 0.36
KDM1A O60341 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
DAO P14920 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 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
SCHEMBL8561003 0.93 CHRM4 (0.39) CHRM4KDM1ARCOR1SLC6A4SLC6A3
SCHEMBL8051965 0.90 LIPE (0.38) CHRM4KDM1ARCOR1ACACBLIPE
SCHEMBL8051859 0.90 L3MBTL1 (0.40) CHRM4KDM1ARCOR1LIPE
SCHEMBL8034567 0.90 EPHX2 (0.35) CHRM4KCNA5KCNH2DRD2DRD4
SCHEMBL8033954 0.88 CHRM4 (0.35) CHRM4DRD2DRD4DRD3SCN9A
SCHEMBL8044208 0.87 L3MBTL1 (0.40) CHRM4KDM1ARCOR1LIPE
SCHEMBL9061479 0.86 SPHK1 (0.46) KDM1ARCOR1SPHK1TSHR
SCHEMBL9061465 0.86 SPHK1 (0.46) KDM1ARCOR1SPHK1TSHR
SCHEMBL8034698 0.85 FFAR4 (0.34) KCNH2SPHK1
SCHEMBL9060667 0.85 SPHK1 (0.48) KDM1ARCOR1SPHK1TSHR

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