SCHEMBL7098928

SCHEMBL7098928

CCOC(C)OC(=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
ALDH1A1 P00352 3/20 0.42
BLM P54132 2/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
WRN Q14191 1/20 0.42
HIF1A Q16665 1/20 0.42
PTGS1 P23219 7/20 0.38
PTGS2 P35354 7/20 0.38
MGLL Q99685 6/20 0.38
FAAH O00519 3/20 0.38
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GMNN O75496 1/20 0.36
THPO P40225 1/20 0.36
PMP22 Q01453 1/20 0.36
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL13807330 0.85 MGLL (0.49) GSK3AGSK3BALDH1A1BLMHPGD
SCHEMBL7097749 0.81 GSK3A (0.42) GSK3AGSK3BALDH1A1BLMHPGD
SCHEMBL15024032 0.80 ALDH1A1 (0.46) GSK3AGSK3BALDH1A1BLMHPGD
SCHEMBL13169087 0.78 ALDH1A1 (0.45) GSK3AGSK3BALDH1A1BLMHPGD
SCHEMBL13807318 0.77 PTGS1 (0.51) GSK3AGSK3BALDH1A1BLMHPGD
SCHEMBL5165325 0.77 GSK3A (0.68) GSK3AGSK3BALDH1A1BLMHPGD
SCHEMBL2306711 0.76 LMNA (0.50) ALDH1A1CYP1A2LMNAMAPTMAPK1
SCHEMBL29239350 0.75 PTGS1 (0.39) GSK3AGSK3BALDH1A1BLMHPGD
SCHEMBL13807555 0.75 PTGS1 (0.49) GSK3AGSK3BALDH1A1BLMHPGD
SCHEMBL12414122 0.75 GSK3A (0.41) GSK3AGSK3BALDH1A1BLMHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339127-A1 SOLID POLYMER ELECTROLYTE AND CELL CONTAINING THE ELECTROLYTE DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-08-27 EP disclosed