SCHEMBL8049050

SCHEMBL8049050

CC(C)CCCC1CCC(c2cc(F)c(CCc3ccc(C(F)(F)F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.35
SLC6A2 P23975 5/20 0.34
SLC6A4 P31645 5/20 0.34
KDM1A O60341 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
EPHX2 P34913 2/20 0.32
TRPM8 Q7Z2W7 2/20 0.31
KIF11 P52732 1/20 0.31
MDM2 Q00987 1/20 0.31
LNPEP Q9UIQ6 1/20 0.31
SLC6A3 Q01959 1/20 0.30
CHRNA7 P36544 1/20 0.30

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
SCHEMBL8045115 0.90 DAO (0.37) DAOSLC6A2SLC6A4KDM1AHCRTR1
SCHEMBL8043804 0.88 KDM1A (0.34) DAOSLC6A2SLC6A4KDM1AHCRTR1
SCHEMBL8044667 0.87 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL8053249 0.87 EPHX2 (0.35) DAOSLC6A2SLC6A4KDM1AHCRTR1
SCHEMBL8045443 0.86 DAO (0.32) DAO
SCHEMBL8045434 0.85 KCNH2 (0.40) HCRTR1HCRTR2EPHX2
SCHEMBL8034541 0.84 KDM1A (0.42) SLC6A2SLC6A4KDM1AEPHX2TRPM8
SCHEMBL8033954 0.82 CHRM4 (0.35) DAOSLC6A4HCRTR1HCRTR2EPHX2
SCHEMBL8044398 0.82 DAO (0.37) DAOSLC6A2SLC6A4KDM1AHCRTR1
SCHEMBL8043937 0.82 KDM1A (0.40) SLC6A2SLC6A4KDM1AEPHX2TRPM8

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