SCHEMBL8567945

SCHEMBL8567945

CC(C)CCCC1CCC(CCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
FDFT1 P37268 2/20 0.45
KCNH2 Q12809 2/20 0.39
TMEM97 Q5BJF2 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
MCHR1 Q99705 3/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NAAA Q02083 1/20 0.37
GBA1 P04062 1/20 0.36
UGCG Q16739 1/20 0.36
GBA2 Q9HCG7 1/20 0.36
KIF11 P52732 1/20 0.36

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
SCHEMBL8557429 0.92 MAOB (0.46) MAOBSLC6A2SLC6A4FDFT1KCNH2
SCHEMBL8043786 0.86 AKR1C3 (0.42) MAOBSLC6A2SLC6A4FDFT1KCNH2
SCHEMBL8034560 0.85 SLC6A2 (0.40) MAOBSLC6A2SLC6A4FDFT1MCHR1
SCHEMBL8046694 0.85 GPR84 (0.38) MAOBSLC6A2SLC6A4FDFT1KIF11
SCHEMBL8565160 0.84 SLC6A2 (0.43) MAOBSLC6A2SLC6A4KCNH2TMEM97
SCHEMBL8560987 0.84 HTR2C (0.44) SLC6A2SLC6A4TMEM97MCHR1ALDH1A1
SCHEMBL9809515 0.83 MAOB (0.48) MAOBFDFT1TAAR1GAAKIF11
SCHEMBL8559382 0.83 GRM2 (0.42) SLC6A4ALDH1A1
SCHEMBL8045206 0.83 KIF11 (0.48) KIF11
SCHEMBL8567647 0.83 MAOB (0.45) MAOBSLC6A2SLC6A4FDFT1KCNH2

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