SCHEMBL8110282

SCHEMBL8110282

N=C(CC(=O)OCc1ccc([N+](=O)[O-])cc1)N1CC[C@H](NC(=O)CC(O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.36
ALDH1A1 P00352 4/20 0.35
HSD11B1 P28845 1/20 0.35
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
LMNA P02545 1/20 0.33
EPHX2 P34913 1/20 0.33
CCR2 P41597 2/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CCR5 P51681 1/20 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
SCHEMBL8095063 0.92 HSD11B1 (0.40) SIGMAR1ALDH1A1HSD11B1DPP8DPP9
SCHEMBL8095227 0.92 HSD11B1 (0.40) SIGMAR1ALDH1A1HSD11B1DPP8DPP9
SCHEMBL8102759 0.89 HSD11B1 (0.34) SIGMAR1ALDH1A1HSD11B1DPP8DPP9
SCHEMBL8104577 0.87 DPP8 (0.36) ALDH1A1DPP8DPP9LMNA
SCHEMBL8102742 0.85 HSD11B1 (0.44) SIGMAR1ALDH1A1HSD11B1DPP8DPP9
SCHEMBL8095391 0.85 HSD11B1 (0.44) SIGMAR1ALDH1A1HSD11B1DPP8DPP9
SCHEMBL8104555 0.85 HSD11B1 (0.44) SIGMAR1ALDH1A1HSD11B1DPP8DPP9
SCHEMBL8104700 0.85 HSD11B1 (0.44) SIGMAR1ALDH1A1HSD11B1DPP8DPP9
SCHEMBL8102654 0.84 HSD11B1 (0.37) SIGMAR1ALDH1A1HSD11B1DPP8DPP9
SCHEMBL8540671 0.83 HSD11B1 (0.36) SIGMAR1ALDH1A1HSD11B1DPP8DPP9

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-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