SCHEMBL8580347

SCHEMBL8580347

N=C(CC(=O)OCc1ccc([N+](=O)[O-])cc1)NC1CN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATM Q13315 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
MMP2 P08253 1/20 0.34
ANPEP P15144 1/20 0.34

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
SCHEMBL8436695 0.93 HSD11B1 (0.35) ALDH1A1MAPTTDP1DPP8DPP9
SCHEMBL8440441 0.93 HSD11B1 (0.35) ALDH1A1MAPTTDP1DPP8DPP9
SCHEMBL8437765 0.92 DPP8 (0.37) ALDH1A1DPP8DPP9
SCHEMBL9574302 0.89 ALDH1A1 (0.39) ALDH1A1MAPTTDP1GAADPP8
SCHEMBL8438227 0.88 DPP8 (0.42) ALDH1A1MAPTTDP1DPP8DPP9
SCHEMBL8579491 0.84 GAA (0.42) ALDH1A1MAPTGAAMAPK1L3MBTL1
SCHEMBL8104711 0.84 TSHR (0.44) ALDH1A1MAPTL3MBTL1RAB9A
SCHEMBL8104264 0.84 TSHR (0.44) ALDH1A1MAPTL3MBTL1RAB9A
SCHEMBL8444889 0.84 TPSAB1 (0.40) ALDH1A1MAPTGAADPP8DPP9
SCHEMBL8445887 0.84 TPSAB1 (0.40) ALDH1A1MAPTGAADPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0560613-A1 Antimicrobial carbapenem derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1993-09-15 EP disclosed