SCHEMBL8557429

SCHEMBL8557429

CC(C)CCCC1CCC(C2CCC(CCc3ccc(C(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
KCNH2 Q12809 2/20 0.39
TMEM97 Q5BJF2 1/20 0.39
TAAR1 Q96RJ0 1/20 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
FDFT1 P37268 2/20 0.36
TEAD1 P28347 2/20 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
SCHEMBL8567945 0.92 MAOB (0.46) MAOBSLC6A2SLC6A4KCNH2TMEM97
SCHEMBL8565160 0.84 SLC6A2 (0.43) MAOBSLC6A2SLC6A4KCNH2TMEM97
SCHEMBL8562055 0.84 HTR2C (0.44) SLC6A2SLC6A4ALDH1A1
SCHEMBL4800385 0.83 MAOB (0.48) MAOBTAAR1TEAD1
SCHEMBL4800377 0.83 MAOB (0.48) MAOBTAAR1TEAD1
SCHEMBL8559117 0.83 DRD2 (0.39) SLC6A4ALDH1A1
SCHEMBL8428182 0.83 MAOB (0.50) MAOBTAAR1GAATEAD1
SCHEMBL8563691 0.83 MAOB (0.45) MAOBSLC6A2SLC6A4KCNH2TMEM97
SCHEMBL8431479 0.82 MAOB (0.49) MAOBTAAR1GAATEAD1
SCHEMBL4795951 0.81 MAOB (0.51) MAOBTAAR1TEAD1

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 3 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
CN-1140194-A Liquid crystalline compound having branched alkyl group at its side chain and liquid crystal composition containing the same CHISSO CORP (JP) 1997-01-15 CN disclosed
EP-0733692-A1 Liquid crystalline compound, liquid crystal composition containing the same, and display device Chisso Corporation (JP) 1996-09-25 EP disclosed