SCHEMBL8034601

SCHEMBL8034601

CCC(C)CCC1CCC(c2ccc(-c3ccc(C(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.41
CYP11B1 P15538 5/20 0.37
CYP11B2 P19099 5/20 0.37
FFAR1 O14842 1/20 0.36
KDM1A O60341 1/20 0.36

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
SCHEMBL8046206 0.89 CYP11B1 (0.38) CYP11B1CYP11B2KDM1A
SCHEMBL8045397 0.89 CYP11B1 (0.35) KIF11CYP11B1CYP11B2KDM1A
SCHEMBL8045321 0.88 CYP2C9 (0.34)
SCHEMBL8045210 0.87 KDM1A (0.39) CYP11B1CYP11B2KDM1A
SCHEMBL8046193 0.87 DAO (0.37) KIF11KDM1A
SCHEMBL8052160 0.86 KIF11 (0.47) KIF11CYP11B1CYP11B2FFAR1
SCHEMBL8103006 0.86 KIF11 (0.47) KIF11CYP11B1CYP11B2KDM1A
SCHEMBL8103002 0.86 KIF11 (0.47) KIF11CYP11B1CYP11B2KDM1A
SCHEMBL8046530 0.85 KIF11 (0.42) KIF11CYP11B1CYP11B2FFAR1KDM1A

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