SCHEMBL8045397

SCHEMBL8045397

CCC(C)CCC1CCC(c2cc(F)c(-c3ccc(C(F)(F)F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.35
CYP11B2 P19099 6/20 0.35
PDE2A O00408 2/20 0.35
EPHX2 P34913 1/20 0.35
KIF11 P52732 10/20 0.34
KDM1A O60341 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
SCHEMBL8034601 0.89 KIF11 (0.41) CYP11B1CYP11B2KIF11KDM1A
SCHEMBL8051974 0.88 KDM1A (0.41) CYP11B1CYP11B2PDE2AEPHX2KDM1A
SCHEMBL8046206 0.87 CYP11B1 (0.38) CYP11B1CYP11B2KDM1A
SCHEMBL8046071 0.87 KIF11 (0.37) CYP11B1CYP11B2EPHX2KIF11
SCHEMBL8052400 0.87 HTR2C (0.35) PDE2AEPHX2
SCHEMBL13002688 0.86 KIF11 (0.39) CYP11B1CYP11B2KIF11KDM1A
SCHEMBL8044625 0.86 KIF11 (0.35) CYP11B1CYP11B2PDE2AKIF11KDM1A
SCHEMBL8049224 0.85 PDE2A (0.31) PDE2A
SCHEMBL8045210 0.85 KDM1A (0.39) CYP11B1CYP11B2PDE2AEPHX2KDM1A
SCHEMBL8052175 0.84 EPHX2 (0.39) PDE2AEPHX2

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