SCHEMBL7458367

SCHEMBL7458367

COc1ccc(CS[C@H]2C[C@@H](C(=O)N3CC[C@H](NC(=O)CCCN(C(=O)OCc4ccc([N+](=O)[O-])cc4)C(N)=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 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ENPP2 Q13822 5/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 1/20 0.31
GAA P10253 1/20 0.31
CCR5 P51681 1/20 0.30
GRIN2B Q13224 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
NAAA Q02083 1/20 0.30

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
SCHEMBL7452643 0.96 ALDH1A1 (0.34) ALDH1A1MAPK1L3MBTL1SMN1; SMN2MAPT
SCHEMBL7458371 0.93 ALDH1A1 (0.36) ALDH1A1MAPK1L3MBTL1SMN1; SMN2MAPT
SCHEMBL7452662 0.93 ALDH1A1 (0.35) ALDH1A1MAPK1L3MBTL1SMN1; SMN2MAPT
SCHEMBL7456385 0.91 ALDH1A1 (0.34) ALDH1A1MAPK1L3MBTL1SMN1; SMN2MAPT
SCHEMBL7457445 0.89 ALDH1A1 (0.35) ALDH1A1MAPK1L3MBTL1ENPP2SMN1; SMN2
SCHEMBL7457436 0.89 ALDH1A1 (0.34) ALDH1A1MAPK1L3MBTL1SMN1; SMN2MAPT
SCHEMBL7461605 0.88 ALDH1A1 (0.36) ALDH1A1MAPK1L3MBTL1SMN1; SMN2MAPT
SCHEMBL7457687 0.88 ENPP2 (0.36) ENPP2
SCHEMBL7457369 0.87 ALDH1A1 (0.39) ALDH1A1MAPK1L3MBTL1SMN1; SMN2MAPT
SCHEMBL7452598 0.87 ALDH1A1 (0.34) ALDH1A1MAPK1L3MBTL1SMN1; SMN2MAPT

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