SCHEMBL7560749

SCHEMBL7560749

COc1ccc(CS[C@H]2C[C@@H](C(=O)N3CC(NC(=O)CN(C)/C(=N\C(=O)OCc4ccc([N+](=O)[O-])cc4)NC(=O)OCc4ccc([N+](=O)[O-])cc4)C3)N(C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTRA1 Q92743 1/20 0.31
NPFFR1 Q9GZQ6 1/20 0.31
NPFFR2 Q9Y5X5 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL7560752 1.00 ALDH1A1 (0.34) ALDH1A1MAPK1L3MBTL1GAAMAPT
SCHEMBL7458772 0.96 ALDH1A1 (0.35) ALDH1A1MAPK1L3MBTL1GAAMAPT
SCHEMBL7458767 0.96 ALDH1A1 (0.35) ALDH1A1MAPK1L3MBTL1GAAMAPT
SCHEMBL7457425 0.88 GAA (0.37) ALDH1A1MAPK1L3MBTL1GAAMAPT
SCHEMBL7457444 0.88 GAA (0.37) ALDH1A1MAPK1L3MBTL1GAAMAPT
SCHEMBL7452652 0.87 ALDH1A1 (0.35) ALDH1A1MAPK1L3MBTL1GAAMAPT
SCHEMBL7452655 0.87 ALDH1A1 (0.35) ALDH1A1MAPK1L3MBTL1GAAMAPT
SCHEMBL7457436 0.87 ALDH1A1 (0.34) ALDH1A1MAPK1L3MBTL1GAAMAPT
SCHEMBL7451757 0.87 DPP8 (0.32) ALDH1A1MAPT
SCHEMBL7451764 0.87 DPP8 (0.32) ALDH1A1MAPT

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
EP-0882728-B1 1-METHYLCARBAPENEM DERIVATIVES SANKYO CO (JP) 2002-09-04 EP disclosed
US-6090802-A BACTERICIDE SANKYO COMPANY, LIMITED (JP) 2000-07-18 US disclosed
EP-0882728-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-09 EP disclosed