SCHEMBL7155003

SCHEMBL7155003

CC(NC(=O)OCc1ccccc1)C(=O)NC(CC(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.59
ECE1 P42892 1/20 0.59
CTSK P43235 3/20 0.59
CASP1 P29466 8/20 0.55
CAPN1 P07384 1/20 0.53
CASP3 P42574 1/20 0.52
PSMB8 P28062 1/20 0.52
PSMB9 P28065 1/20 0.52
PSMB5 P28074 1/20 0.52

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
SCHEMBL14433707 1.00 MME (0.59) MMEECE1CTSKCASP1CAPN1
SCHEMBL4430771 1.00 MME (0.59) MMEECE1CTSKCASP1CAPN1
SCHEMBL29453232 0.99 MME (0.58) MMEECE1CTSKCASP1CAPN1
SCHEMBL10868042 0.91 CAPN1 (0.58) MMEECE1CTSKCASP1CAPN1
SCHEMBL30902886 0.91 CTSK (0.58) MMEECE1CTSKCASP1CAPN1
SCHEMBL30902885 0.91 CTSK (0.58) MMEECE1CTSKCASP1CAPN1
SCHEMBL3140616 0.91 CASP3 (0.62) MMEECE1CTSKCASP1CASP3
SCHEMBL614741 0.91 CASP3 (0.62) MMEECE1CTSKCASP1CASP3
SCHEMBL28645697 0.90 CTSK (0.57) CTSKCASP1PSMB8PSMB9PSMB5
SCHEMBL28645693 0.90 MME (0.60) MMEECE1CTSKCAPN1PSMB8

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
CN-1283656-C C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS INC (US) 2006-11-08 CN disclosed
EP-1351975-A2 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2003-10-15 EP disclosed
WO-2002057298-A2 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2002-07-25 WO disclosed