SCHEMBL8437765

SCHEMBL8437765

N=C(CC(=O)OCc1ccc([N+](=O)[O-])cc1)NC1CCCN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
ALDH1A1 P00352 2/20 0.37
EPHX1 P07099 2/20 0.35
PREP P48147 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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 0.95 HSD11B1 (0.35) DPP8DPP9ALDH1A1
SCHEMBL8440441 0.95 HSD11B1 (0.35) DPP8DPP9ALDH1A1
SCHEMBL8580347 0.92 ALDH1A1 (0.35) DPP8DPP9ALDH1A1
SCHEMBL8102837 0.85 CTRB1 (0.42) ALDH1A1PREP
SCHEMBL8440242 0.85 ALDH1A1 (0.37) DPP8DPP9ALDH1A1
SCHEMBL7455094 0.85 CTRB1 (0.42) ALDH1A1PREP
SCHEMBL7455087 0.85 CTRB1 (0.42) ALDH1A1PREP
SCHEMBL8102832 0.85 CTRB1 (0.42) ALDH1A1PREP
SCHEMBL8437767 0.85 EPHX1 (0.36) DPP8DPP9ALDH1A1EPHX1PREP
SCHEMBL8436720 0.84 HSD11B1 (0.45) DPP8DPP9ALDH1A1EPHX1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
EP-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed