SCHEMBL8569322

SCHEMBL8569322

CCC(C)CCC1CCC(c2ccc(CCc3ccc(OC(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.38
KDM1A O60341 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
TSHR P16473 1/20 0.37
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 4/20 0.36
KCNA5 P22460 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
SCN9A Q15858 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
SPHK1 Q9NYA1 1/20 0.34
ALDH1A1 P00352 1/20 0.34
DAO P14920 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
SCHEMBL8559819 0.93 KDM1A (0.40) EPHX2KDM1ARCOR1TSHRSLC6A4
SCHEMBL8045439 0.91 L3MBTL1 (0.40) EPHX2KDM1ARCOR1ALDH1A1
SCHEMBL8561730 0.91 KDM1A (0.39) EPHX2KDM1ARCOR1TSHRALDH1A1
SCHEMBL8048753 0.90 EPHX2 (0.34) EPHX2KDM1ARCOR1TSHRSLC6A4
SCHEMBL8049143 0.88 EPHX2 (0.38) EPHX2TSHRSLC6A4SLC6A3HRH3
SCHEMBL8045178 0.86 FFAR4 (0.33) SPHK1ALDH1A1
SCHEMBL8562619 0.86 EPHX2 (0.39) EPHX2TSHRSLC6A4SLC6A3HRH3
SCHEMBL9056002 0.86 GRM2 (0.41) EPHX2TSHRSLC6A4SLC6A3HRH3
SCHEMBL9060236 0.85 CYP2C9 (0.47) KDM1ARCOR1TSHRSLC6A4SLC6A3
SCHEMBL9060233 0.85 CYP2C9 (0.47) KDM1ARCOR1TSHRSLC6A4SLC6A3

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