SCHEMBL8562849

SCHEMBL8562849

CCC(C)CCC1CCC(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.43
DGAT1 O75907 1/20 0.39
SOAT1 P35610 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.37
CETP P11597 1/20 0.36
P2RY14 Q15391 5/20 0.36
ESR2 Q92731 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR88 Q9GZN0 1/20 0.36
ADRB3 P13945 2/20 0.35
ADRA2B P18089 2/20 0.35
DRD1 P21728 2/20 0.35
DRD5 P21918 2/20 0.35
ADRA1B P35368 2/20 0.35
TMEM97 Q5BJF2 2/20 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 0.95 HTR2C (0.45) HTR2CALDH1A1LMNAMAPTCYP2C9
SCHEMBL8561123 0.92 HTR2C (0.43) HTR2CALDH1A1LMNAMAPTCYP2C9
SCHEMBL8567605 0.90 HTR2C (0.41) HTR2CALDH1A1LMNAMAPTCYP2C9
SCHEMBL8044843 0.86 AKR1C3 (0.41) HTR2CCYP2C9CETPP2RY14ADRB3
SCHEMBL8052400 0.86 HTR2C (0.35) HTR2CDGAT1SOAT1CETPGPR88
SCHEMBL8045321 0.85 CYP2C9 (0.34) DGAT1SOAT1ALDH1A1LMNAMAPT
SCHEMBL8567647 0.84 MAOB (0.45) ALDH1A1MEN1KMT2ATMEM97SIGMAR1
SCHEMBL8045439 0.84 L3MBTL1 (0.40) ALDH1A1LMNAMAPTCYP2C9ESR2
SCHEMBL8095323 0.83 ALDH1A1 (0.54) HTR2CDGAT1SOAT1ALDH1A1LMNA
SCHEMBL8095319 0.83 ALDH1A1 (0.54) HTR2CDGAT1SOAT1ALDH1A1LMNA

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