SCHEMBL8559819

SCHEMBL8559819

CCC(C)CCC1CCC(CCC2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
EPHX2 P34913 5/20 0.38
CYP2C9 P11712 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ESR2 Q92731 1/20 0.35
PDE2A O00408 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GPR88 Q9GZN0 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
LIPE Q05469 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
SCHEMBL8045439 0.95 L3MBTL1 (0.40) KDM1ARCOR1EPHX2CYP2C9L3MBTL1
SCHEMBL8561730 0.95 KDM1A (0.39) KDM1ARCOR1EPHX2CYP2C9L3MBTL1
SCHEMBL8569322 0.93 EPHX2 (0.38) KDM1ARCOR1EPHX2SLC6A4SLC6A3
SCHEMBL8034044 0.85 GRM2 (0.41) KDM1ARCOR1EPHX2CYP2C9L3MBTL1
SCHEMBL8034378 0.84 EPHX2 (0.35) KDM1ARCOR1EPHX2L3MBTL1PDE2A
SCHEMBL8455004 0.84 CYP2C9 (0.51) KDM1ARCOR1EPHX2CYP2C9L3MBTL1
SCHEMBL8455001 0.84 CYP2C9 (0.51) KDM1ARCOR1EPHX2CYP2C9L3MBTL1
SCHEMBL8561003 0.83 CHRM4 (0.39) KDM1ARCOR1EPHX2CYP2C9L3MBTL1
SCHEMBL8033957 0.83 L3MBTL1 (0.42) KDM1ARCOR1EPHX2L3MBTL1ESR2
SCHEMBL8048753 0.83 EPHX2 (0.34) KDM1ARCOR1EPHX2SLC6A4SLC6A3

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