SCHEMBL8562619

SCHEMBL8562619

CCC(C)CCC1CCC(C2CCC(CCc3ccc(OC(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
TSHR P16473 1/20 0.39
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 4/20 0.37
HRH3 Q9Y5N1 2/20 0.37
SCN9A Q15858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LIPE Q05469 1/20 0.35
MAOB P27338 1/20 0.34
EPHX1 P07099 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
SCHEMBL9056002 0.93 GRM2 (0.41) EPHX2DRD2DRD4DRD3TSHR
SCHEMBL8569322 0.86 EPHX2 (0.38) EPHX2DRD2DRD4DRD3TSHR
SCHEMBL8561730 0.85 KDM1A (0.39) EPHX2TSHRALDH1A1LIPE
SCHEMBL9061221 0.84 TSHR (0.43) DRD2DRD4DRD3TSHRSLC6A4
SCHEMBL8447740 0.84 TSHR (0.43) DRD2DRD4DRD3TSHRSLC6A4
SCHEMBL9061189 0.84 TSHR (0.43) DRD2DRD4DRD3TSHRSLC6A4
SCHEMBL9061208 0.84 TSHR (0.43) DRD2DRD4DRD3TSHRSLC6A4
SCHEMBL4803267 0.84 TSHR (0.43) DRD2DRD4DRD3TSHRSLC6A4
SCHEMBL4803252 0.84 TSHR (0.43) DRD2DRD4DRD3TSHRSLC6A4
SCHEMBL8559117 0.84 DRD2 (0.39) EPHX2DRD2DRD4DRD3TSHR

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