SCHEMBL8045206

SCHEMBL8045206

CC(C)CCCC1CCC(CCc2ccc(-c3ccc(C(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.48
FFAR1 O14842 1/20 0.37
CYP11B1 P15538 4/20 0.37
CYP11B2 P19099 4/20 0.37
GPR84 Q9NQS5 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
SCHEMBL8043272 0.89 KIF11 (0.39) KIF11CYP11B1CYP11B2
SCHEMBL8046723 0.89 KIF11 (0.38) KIF11CYP11B1CYP11B2
SCHEMBL8046694 0.88 GPR84 (0.38) KIF11GPR84
SCHEMBL8044398 0.87 DAO (0.37) KIF11
SCHEMBL8747882 0.87 KIF11 (0.51) KIF11CYP11B1CYP11B2GPR84
SCHEMBL8046530 0.86 KIF11 (0.42) KIF11FFAR1CYP11B1CYP11B2
SCHEMBL8748031 0.86 KIF11 (0.50) KIF11CYP11B1CYP11B2
SCHEMBL8052160 0.85 KIF11 (0.47) KIF11FFAR1CYP11B1CYP11B2
SCHEMBL8748211 0.85 KIF11 (0.49) KIF11CYP11B1CYP11B2
SCHEMBL8747993 0.85 KIF11 (0.49) KIF11CYP11B1CYP11B2

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