SCHEMBL8044892

SCHEMBL8044892

CC(C)CCCC1CCC(c2ccc(CCc3ccc(C(F)(F)F)cc3)c(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.39
SLC6A2 P23975 4/20 0.39
SLC6A3 Q01959 2/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 4/20 0.34
TMEM97 Q5BJF2 3/20 0.34
HTR2A P28223 2/20 0.34
MAOB P27338 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR2C P28335 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CCR5 P51681 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL8747935 0.88 SPHK1 (0.39) MAOBHTR2CTAAR1DRD2DRD3
SCHEMBL8565160 0.88 SLC6A2 (0.43) SLC6A4SLC6A2MEN1KMT2AKCNH2
SCHEMBL8043804 0.88 KDM1A (0.34) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL8034567 0.88 EPHX2 (0.35) SLC6A4SLC6A3KCNH2DRD2DRD3
SCHEMBL8034379 0.88 SLC6A2 (0.32) SLC6A4SLC6A2SLC6A3
SCHEMBL8044667 0.87 SLC6A2 (0.41) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL8748038 0.87 SPHK1 (0.41) MAOBDRD2DRD3
SCHEMBL8052323 0.87 MEN1 (0.34) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL8747996 0.86 SPHK1 (0.43) DRD2DRD3
SCHEMBL8747879 0.86 SPHK1 (0.43) DRD2DRD3

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 4 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
CN-1140194-A Liquid crystalline compound having branched alkyl group at its side chain and liquid crystal composition containing the same CHISSO CORP (JP) 1997-01-15 CN disclosed
EP-0733692-A1 Liquid crystalline compound, liquid crystal composition containing the same, and display device Chisso Corporation (JP) 1996-09-25 EP disclosed