SCHEMBL7457350

SCHEMBL7457350

CN(CC(=O)NC1CN(C(=O)O)C1)/C(=N\C(=O)OCc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
PLCG1 P19174 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ATM Q13315 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
CTSL P07711 2/20 0.34
EPHX1 P07099 1/20 0.34
TGM2 P21980 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
SCHEMBL7457355 1.00 DPP8 (0.37) DPP8DPP9TDP1SIGMAR1PLCG1
SCHEMBL7456158 0.94 SIGMAR1 (0.39) DPP8DPP9TDP1SIGMAR1PLCG1
SCHEMBL7456160 0.94 SIGMAR1 (0.39) DPP8DPP9TDP1SIGMAR1PLCG1
SCHEMBL7451764 0.85 DPP8 (0.32) DPP8DPP9ALDH1A1MAPTHPGD
SCHEMBL7451757 0.85 DPP8 (0.32) DPP8DPP9ALDH1A1MAPTHPGD
Trifluoroacetic Acid SCHEMBL7454527 0.84 CHIT1 (0.35) PLCG1ALDH1A1MAPTCTSLTGM2
Trifluoroacetic Acid SCHEMBL7454532 0.84 CHIT1 (0.35) PLCG1ALDH1A1MAPTCTSLTGM2
SCHEMBL7457360 0.83 PLCG1 (0.37) DPP8DPP9TDP1SIGMAR1PLCG1
SCHEMBL7456410 0.83 DPP8 (0.41) DPP8DPP9TDP1SIGMAR1PLCG1
SCHEMBL7456391 0.83 DPP8 (0.41) DPP8DPP9TDP1SIGMAR1PLCG1

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