SCHEMBL8043715

SCHEMBL8043715

CC(C)CCCC1CCC(c2ccc(-c3ccc(C(F)(F)F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
CYP11B1 P15538 14/20 0.36
CYP11B2 P19099 14/20 0.36
APP P05067 1/20 0.35
KIF11 P52732 3/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL8034541 0.90 KDM1A (0.42) KDM1A
SCHEMBL8046530 0.89 KIF11 (0.42) KDM1ACYP11B1CYP11B2KIF11
SCHEMBL8043937 0.88 KDM1A (0.40) KDM1A
SCHEMBL8044836 0.87 AKR1C3 (0.42) APPKIF11CYP3A4CYP2C9
SCHEMBL8043709 0.87 APP (0.34) APPCYP3A4CYP2C9
SCHEMBL8044625 0.87 KIF11 (0.35) KDM1ACYP11B1CYP11B2KIF11
SCHEMBL8046206 0.86 CYP11B1 (0.38) KDM1ACYP11B1CYP11B2APP
SCHEMBL13002685 0.85 CYP11B1 (0.41) KDM1ACYP11B1CYP11B2KIF11CYP2C9
SCHEMBL8043272 0.85 KIF11 (0.39) CYP11B1CYP11B2KIF11
SCHEMBL8044555 0.85 EPHX2 (0.36) APPCYP3A4CYP2C9

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