SCHEMBL8046694

SCHEMBL8046694

CC(C)CCCC1CCC(CCc2ccc(-c3cc(F)c(C(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.38
GRM2 Q14416 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
MAOB P27338 4/20 0.33
KIF11 P52732 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
LNPEP Q9UIQ6 1/20 0.32
FDFT1 P37268 1/20 0.32
FFAR4 Q5NUL3 5/20 0.31

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
SCHEMBL8052346 0.89 GRM2 (0.32) GPR84GRM2SLC6A2SLC6A4LNPEP
SCHEMBL8045206 0.88 KIF11 (0.48) GPR84KIF11
SCHEMBL8052215 0.87 DAO (0.34) GPR84
SCHEMBL8034372 0.86 FFAR4 (0.34) GPR84FFAR4
SCHEMBL8034581 0.85 ESR2 (0.34) GRM2
SCHEMBL8043861 0.85 DAO (0.33) LNPEP
SCHEMBL8567945 0.85 MAOB (0.46) MAOBKIF11SLC6A2SLC6A4FDFT1
SCHEMBL8046024 0.84 GPR84 (0.37) GPR84GRM2HRH3MAOBKIF11
SCHEMBL8045407 0.83 KCNH2 (0.39) GRM2FFAR4
SCHEMBL8046509 0.82 SPHK1 (0.35) SLC6A2SLC6A4LNPEPFFAR4

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