SCHEMBL9830798

SCHEMBL9830798

Nc1ccc(COC(=O)NC(CC(=O)O)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.52
PLAU P00749 1/20 0.52
PLAT P00750 1/20 0.52
CASP1 P29466 7/20 0.51
SOAT1 P35610 1/20 0.50
ATM Q13315 1/20 0.49
CTSL P07711 1/20 0.45
CTSS P25774 1/20 0.45

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
SCHEMBL6156731 0.90 CASP1 (0.60) CASP1ATMCTSLCTSS
SCHEMBL6955527 0.90 CASP1 (0.60) CASP1ATMCTSLCTSS
SCHEMBL6156740 0.90 CASP1 (0.60) CASP1ATMCTSLCTSS
SCHEMBL3857870 0.86 CASP1 (0.51) CASP1
SCHEMBL14562401 0.84 KLK1 (0.57) CASP1
SCHEMBL5700951 0.84 F2 (0.49) F2PLAUPLATCASP1ATM
SCHEMBL5700948 0.84 F2 (0.49) F2PLAUPLATCASP1ATM
SCHEMBL10885697 0.82 CTRB1 (0.51) CASP1ATMCTSLCTSS
SCHEMBL1232637 0.82 CASP1 (0.51) CASP1ATMCTSLCTSS
SCHEMBL15654961 0.82 CASP1 (0.51) CASP1

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-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed