SCHEMBL8560987

SCHEMBL8560987

CC(C)CCCC1CCC(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.44
DGAT1 O75907 1/20 0.40
SOAT1 P35610 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
MCHR1 Q99705 2/20 0.38
ESR2 Q92731 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
CETP P11597 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
P2RY14 Q15391 3/20 0.36
ADRB3 P13945 2/20 0.36
ADRA2B P18089 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
SCHEMBL8561712 0.94 HTR2C (0.46) HTR2CSLC6A2SLC6A4ESR2PSEN1
SCHEMBL8562055 0.92 HTR2C (0.44) HTR2CSLC6A2SLC6A4ESR2PSEN1
SCHEMBL8565160 0.90 SLC6A2 (0.43) HTR2CSLC6A2SLC6A4ESR2PSEN1
SCHEMBL8044836 0.86 AKR1C3 (0.42) HTR2CSLC6A2SLC6A4CETPP2RY14
SCHEMBL8048330 0.85 SLC6A2 (0.38) HTR2CDGAT1SOAT1SLC6A2SLC6A4
SCHEMBL8034581 0.85 ESR2 (0.34) DGAT1SOAT1ESR2CETPALDH1A1
SCHEMBL11286081 0.85 HTR2C (0.47) HTR2CDGAT1SOAT1ESR2ALDH1A1
SCHEMBL8567945 0.84 MAOB (0.46) SLC6A2SLC6A4MCHR1ALDH1A1TMEM97
SCHEMBL10453440 0.83 HTR2C (0.46) HTR2CDGAT1SOAT1ESR2ALDH1A1
SCHEMBL11285346 0.83 HTR2C (0.46) HTR2CDGAT1SOAT1ESR2ALDH1A1

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