SCHEMBL7097749

SCHEMBL7097749

CCCC(OCC)OC(=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.42
GSK3B P49841 2/20 0.42
ALDH1A1 P00352 3/20 0.40
BLM P54132 2/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
WRN Q14191 1/20 0.40
HIF1A Q16665 1/20 0.40
MGLL Q99685 8/20 0.38
PTGS1 P23219 7/20 0.38
PTGS2 P35354 7/20 0.38
FAAH O00519 4/20 0.38
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GMNN O75496 1/20 0.33
THPO P40225 1/20 0.33
PMP22 Q01453 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL7098928 0.81 GSK3A (0.45) GSK3AGSK3BALDH1A1BLMHPGD
SCHEMBL15991827 0.78 ALDH1A1 (0.33) GSK3AGSK3BALDH1A1BLMHPGD
SCHEMBL15023985 0.77 PTGS1 (0.51) ALDH1A1MGLLPTGS1PTGS2FAAH
SCHEMBL15024032 0.76 ALDH1A1 (0.46) GSK3AGSK3BALDH1A1BLMHPGD
SCHEMBL15024059 0.74 PTGS1 (0.47) GSK3AGSK3BALDH1A1BLMHPGD
SCHEMBL12993987 0.74 PTGS1 (0.59) ALDH1A1HPGDMGLLPTGS1PTGS2
SCHEMBL14015891 0.74 PTGS1 (0.59) ALDH1A1HPGDMGLLPTGS1PTGS2
SCHEMBL27520842 0.74 LMNA (0.47) ALDH1A1BLMHPGDCYP1A2HIF1A
SCHEMBL5165325 0.74 GSK3A (0.68) GSK3AGSK3BALDH1A1BLMHPGD
SCHEMBL8429141 0.72 LMNA (0.34) ALDH1A1LMNAMAPTMAPK1

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