SCHEMBL8083685

SCHEMBL8083685

CCCC1CCC(c2ccc(C(=O)O)cc2)CC1.N#Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.54
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
P2RY14 Q15391 2/20 0.47
CHRM4 P08173 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HSD11B1 P28845 1/20 0.41
NR3C2 P08235 5/20 0.41
SCD5 Q86SK9 1/20 0.39
AR P10275 1/20 0.39
MAP4K4 O95819 1/20 0.38

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
SCHEMBL8528513 0.93 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10730169 0.87 CYP2C9 (0.69) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10730158 0.87 CYP2C9 (0.69) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL20343290 0.86 MEN1 (0.52) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6462690 0.86 MEN1 (0.52) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6462682 0.86 MEN1 (0.52) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL14548245 0.83 CYP2C9 (0.64) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL3267992 0.83 CYP2C9 (0.75) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL2770921 0.83 CYP2C9 (0.75) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8448881 0.83 CYP2C9 (0.52) CYP2C9ALDH1A1LMNAMAPTMEN1

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-0805134-B1 NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION CHISSO CORP (JP) 2000-08-30 EP disclosed
EP-0733610-B1 Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device CHISSO CORP (JP) 1998-10-28 EP disclosed
EP-0805134-A1 NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-11-05 EP disclosed
EP-0733610-A1 Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device Chisso Corporation (JP) 1996-09-25 EP disclosed