SCHEMBL8567647

SCHEMBL8567647

CCC(C)CCC1CCC(CCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.45
FDFT1 P37268 2/20 0.41
KCNH2 Q12809 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NAAA Q02083 1/20 0.36
KIF11 P52732 1/20 0.35
CHKA P35790 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL8563691 0.92 MAOB (0.45) MAOBKCNH2TMEM97TAAR1HRH3
SCHEMBL8034341 0.86 AKR1C3 (0.41) MAOBKCNH2TMEM97KIF11
SCHEMBL8034747 0.86 MAOB (0.36) MAOBKCNH2TMEM97SLC6A2SLC6A4
SCHEMBL8046024 0.85 GPR84 (0.37) MAOBHRH3KIF11GPR84
SCHEMBL8567605 0.85 HTR2C (0.41) MAOBKCNH2TMEM97TAAR1HRH3
SCHEMBL8562849 0.84 HTR2C (0.43) TMEM97MEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL9056002 0.84 GRM2 (0.41) HRH3SLC6A4ALDH1A1
SCHEMBL9227947 0.83 MAOB (0.51) MAOBFDFT1TAAR1NAAAKIF11
SCHEMBL9227953 0.83 MAOB (0.51) MAOBFDFT1TAAR1NAAAKIF11
SCHEMBL8052160 0.83 KIF11 (0.47) KIF11

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