SCHEMBL8567605

SCHEMBL8567605

CCC(C)CCC1CCC(c2ccc(CCc3ccc(C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.41
KCNH2 Q12809 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
MAOB P27338 1/20 0.38
SPHK1 Q9NYA1 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL8561117 0.92 HTR2C (0.45) HTR2CMEN1KMT2AALDH1A1LMNA
SCHEMBL8562849 0.90 HTR2C (0.43) HTR2CTMEM97MEN1KMT2AALDH1A1
SCHEMBL8561123 0.90 HTR2C (0.43) HTR2CMEN1KMT2AALDH1A1LMNA
SCHEMBL8052323 0.88 MEN1 (0.34) HTR2CKCNH2TMEM97MAOBMEN1
SCHEMBL8047009 0.88 KCNH2 (0.34) HTR2CKCNH2TMEM97MAOBMEN1
SCHEMBL8052420 0.85 SPHK1 (0.34) SPHK1MEN1KMT2AALDH1A1LMNA
SCHEMBL8567647 0.85 MAOB (0.45) KCNH2TMEM97MAOBMEN1KMT2A
SCHEMBL8563691 0.85 MAOB (0.45) KCNH2TMEM97MAOBMEN1KMT2A
SCHEMBL8569322 0.84 EPHX2 (0.38) KCNH2SPHK1ALDH1A1HRH3SLC6A4
SCHEMBL9227020 0.84 ALDH1A1 (0.51) HTR2CMAOBSPHK1MEN1KMT2A

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