SCHEMBL8045321

SCHEMBL8045321

CCC(C)CCC1CCC(c2ccc(-c3cc(F)c(C(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.34
ESR2 Q92731 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM2 Q14416 1/20 0.33
DGAT1 O75907 3/20 0.33
SOAT1 P35610 2/20 0.33
APP P05067 1/20 0.32
ACACB O00763 1/20 0.30
PDE2A O00408 1/20 0.30

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
SCHEMBL8052370 0.89 FASN (0.35) CYP2C9GRM2APP
SCHEMBL8034601 0.88 KIF11 (0.41)
SCHEMBL8034563 0.88 PDE2A (0.32) PDE2A
SCHEMBL8052420 0.87 SPHK1 (0.34) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL8049224 0.87 PDE2A (0.31) PDE2A
SCHEMBL8046202 0.86 CYP2C9 (0.32) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL8046024 0.86 GPR84 (0.37) GRM2ACACB
SCHEMBL8049075 0.85 PDE2A (0.31) PDE2A
SCHEMBL8562849 0.85 HTR2C (0.43) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL13002680 0.85 CYP2C9 (0.48) CYP2C9ESR2ALDH1A1LMNAMAPT

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
EP-0733692-B1 Liquid crystalline compound, liquid crystal composition containing the same, and display device CHISSO CORP (JP) 2000-06-14 EP disclosed
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