SCHEMBL8448552

SCHEMBL8448552

N=C(CC(=O)OCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCNC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL8444894 1.00 ALDH1A1 (0.42) ALDH1A1MAPTGAAL3MBTL1MAPK1
SCHEMBL8444922 0.87 ALDH1A1 (0.39) ALDH1A1MAPTGAARAB9A
SCHEMBL8449072 0.86 DPP8 (0.44) ALDH1A1MAPTGAARAB9A
SCHEMBL7462093 0.86 DPP8 (0.44) ALDH1A1MAPTGAARAB9A
SCHEMBL8448749 0.81 USP30 (0.43) ALDH1A1MAPTGAAL3MBTL1MAPK1
SCHEMBL8424414 0.81 ALDH1A1 (0.49) ALDH1A1MAPTGAAL3MBTL1MAPK1
Hydrochloric Acid SCHEMBL8444869 0.81 USP30 (0.42) ALDH1A1MAPTGAAL3MBTL1MAPK1
SCHEMBL8447148 0.80 ALDH1A1 (0.38) ALDH1A1MAPTGAAL3MBTL1RAB9A
SCHEMBL8444897 0.80 MAPT (0.39) ALDH1A1MAPTGAAL3MBTL1
SCHEMBL8448557 0.80 MAPT (0.39) ALDH1A1MAPTGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1093861-C 1-methylcarbapenem derivatives SANKYO CO (JP) 2002-11-06 CN disclosed
US-5977097-A 1-methylcarbapenem derivatives SANKYO COMPANY LIMITED (JP) 1999-11-02 US disclosed
EP-0900797-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1999-03-10 EP disclosed