SCHEMBL7383742

SCHEMBL7383742

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

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 12/20 0.67
CASP7 P55210 7/20 0.60
CASP1 P29466 5/20 0.60
CASP9 P55211 4/20 0.60
MME P08473 1/20 0.60
ECE1 P42892 1/20 0.60
CASP4 P49662 3/20 0.57
CASP10 Q92851 3/20 0.56
CASP8 Q14790 2/20 0.56
CASP5 P51878 1/20 0.54
CASP6 P55212 1/20 0.54
CTSB P07858 2/20 0.53
CTSK P43235 2/20 0.53
CTSL P07711 2/20 0.53
CTSS P25774 2/20 0.53
CA2 P00918 1/20 0.53
CA5A P35218 1/20 0.53

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
SCHEMBL4420464 1.00 CASP3 (0.67) CASP3CASP7CASP1CASP9MME
SCHEMBL614741 0.95 CASP3 (0.62) CASP3CASP7CASP1CASP9MME
SCHEMBL3140616 0.95 CASP3 (0.62) CASP3CASP7CASP1CASP9MME
SCHEMBL3692638 0.92 CASP3 (0.58) CASP3CASP7CASP1CASP9MME
SCHEMBL7112627 0.92 CASP3 (0.58) CASP3CASP7CASP1CASP9MME
SCHEMBL3692630 0.90 CASP3 (0.56) CASP3CASP7CASP1CASP9MME
SCHEMBL29362585 0.89 CASP3 (0.76) CASP3CASP7CASP1CASP9MME
SCHEMBL25287172 0.89 ECE1 (0.61) CASP3CASP7MMEECE1CTSB
SCHEMBL20485154 0.89 CASP3 (0.62) CASP3CASP7CASP1CASP9MME
SCHEMBL22811283 0.89 CASP3 (0.62) CASP3CASP7CASP1CASP9MME

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-1091930-A1 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2001-04-18 EP disclosed
WO-2000001666-A1 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2000-01-13 WO disclosed