SCHEMBL8046509

SCHEMBL8046509

CC(C)CCCC1CCC(c2ccc(CCc3cc(F)c(C(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 11/20 0.35
DAO P14920 1/20 0.33
ESR2 Q92731 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
CYP2C9 P11712 1/20 0.31
SPHK2 Q9NRA0 7/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
LNPEP Q9UIQ6 1/20 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
SCHEMBL8034379 0.89 SLC6A2 (0.32) DAOSLC6A2SLC6A4
SCHEMBL8045115 0.88 DAO (0.37) SPHK1DAOESR2SLC6A2SLC6A4
SCHEMBL8045443 0.88 DAO (0.32) DAO
SCHEMBL8034581 0.87 ESR2 (0.34) ESR2CYP2C9
SCHEMBL8034698 0.86 FFAR4 (0.34) SPHK1ESR2FFAR4
SCHEMBL8052420 0.85 SPHK1 (0.34) SPHK1DAOESR2FFAR4CYP2C9
SCHEMBL8565160 0.84 SLC6A2 (0.43) SPHK1ESR2SLC6A2SLC6A4
SCHEMBL8042991 0.84 PDE2A (0.32)
SCHEMBL8046178 0.83 KCNH2 (0.41)
SCHEMBL8046694 0.82 GPR84 (0.38) FFAR4SLC6A2SLC6A4LNPEP

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