SCHEMBL8046206

SCHEMBL8046206

CCC(C)CCC1CCC(c2ccc(-c3ccc(C(F)(F)F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 16/20 0.38
CYP11B2 P19099 16/20 0.38
KDM1A O60341 1/20 0.36
APP P05067 1/20 0.35
FASN P49327 1/20 0.34
AKR1B10 O60218 1/20 0.34
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 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
SCHEMBL8051974 0.90 KDM1A (0.41) CYP11B1CYP11B2KDM1A
SCHEMBL8034601 0.89 KIF11 (0.41) CYP11B1CYP11B2KDM1A
SCHEMBL8045210 0.88 KDM1A (0.39) CYP11B1CYP11B2KDM1A
SCHEMBL8052370 0.87 FASN (0.35) APPFASNAKR1C3AKR1C2
SCHEMBL8044843 0.87 AKR1C3 (0.41) APPFASNAKR1C3AKR1C2
SCHEMBL8045397 0.87 CYP11B1 (0.35) CYP11B1CYP11B2KDM1A
SCHEMBL13002685 0.87 CYP11B1 (0.41) CYP11B1CYP11B2KDM1AFASN
SCHEMBL8043715 0.86 KDM1A (0.36) CYP11B1CYP11B2KDM1AAPP
SCHEMBL13002686 0.86 CYP11B1 (0.41) CYP11B1CYP11B2KDM1AFASN
SCHEMBL8049037 0.85 KIF11 (0.38) CYP11B1CYP11B2AKR1B10AKR1C4AKR1C3

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