SCHEMBL7459238

SCHEMBL7459238

NC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)NCC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.39
SIGMAR1 Q99720 2/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
EPHX2 P34913 1/20 0.33
TPSAB1 Q15661 2/20 0.33
TPSD1 Q9BZJ3 2/20 0.33
TPSG1 Q9NRR2 2/20 0.33
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
HSD11B1 P28845 1/20 0.32
ENPP2 Q13822 2/20 0.32

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
SCHEMBL9574306 0.93 ALDH1A1 (0.36) SIGMAR1DPP8DPP9ALDH1A1LMNA
SCHEMBL7453533 0.90 CCR2 (0.36) CCR2SIGMAR1DPP8DPP9ALDH1A1
SCHEMBL7453530 0.90 CCR2 (0.36) CCR2SIGMAR1DPP8DPP9ALDH1A1
SCHEMBL9574282 0.89 ALDH1A1 (0.36) SIGMAR1DPP8DPP9ALDH1A1LMNA
SCHEMBL9574544 0.89 ALDH1A1 (0.36) SIGMAR1DPP8DPP9ALDH1A1LMNA
SCHEMBL7453536 0.88 SIGMAR1 (0.33) CCR2SIGMAR1DPP8DPP9ALDH1A1
SCHEMBL8447430 0.87 TPSAB1 (0.39) DPP8DPP9ALDH1A1LMNATPSAB1
SCHEMBL8444908 0.87 TPSAB1 (0.39) DPP8DPP9ALDH1A1LMNATPSAB1
SCHEMBL8542239 0.87 EPHX2 (0.35) SIGMAR1DPP8DPP9ALDH1A1EPHX2
SCHEMBL8541702 0.87 EPHX2 (0.35) SIGMAR1DPP8DPP9ALDH1A1EPHX2

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