SCHEMBL11201356

SCHEMBL11201356

COCCOCOC(C)(C)[C@H]1C(=O)N[C@H]1CC(=O)CC(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.36
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
TP53 P04637 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
SCHEMBL11201364 1.00 GAA (0.43) GAAALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL11201360 1.00 GAA (0.43) GAAALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL10729178 0.89 GAA (0.47) GAAALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL11197041 0.84 GAA (0.35) GAAALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL11214720 0.84 GAA (0.35) GAAALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL11214723 0.84 GAA (0.35) GAAALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL10735034 0.83 ALDH1A1 (0.44) GAAALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL10730744 0.83 ALDH1A1 (0.44) GAAALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL11004360 0.78 GAA (0.36) GAAALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL10743172 0.78 GAA (0.36) GAAALDH1A1MAPTL3MBTL1MAPK1

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-0074599-A1 5,6-cis-Carbapenem derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-03-23 EP disclosed