SCHEMBL13709296

SCHEMBL13709296

CC(C)C[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COP(=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 20/20 0.81
CASP6 P55212 20/20 0.81
CASP8 Q14790 20/20 0.81

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
SCHEMBL14582926 0.84 CASP3 (0.58) CASP3CASP6CASP8
SCHEMBL14582953 0.82 ANPEP (0.58) CASP3CASP6CASP8
SCHEMBL14582929 0.77 ANPEP (0.57) CASP3CASP6CASP8
SCHEMBL14598408 0.76 CASP3 (0.60) CASP3CASP6CASP8
SCHEMBL4551966 0.75 CASP3 (0.54) CASP3CASP6CASP8
SCHEMBL7204618 0.75 CASP3 (0.59) CASP3CASP6CASP8
SCHEMBL14582930 0.74 CASP3 (0.75) CASP3CASP6CASP8
SCHEMBL5497139 0.73 CASP3 (0.53) CASP3CASP6CASP8
SCHEMBL24939045 0.73 CASP3 (0.47) CASP3CASP6CASP8
SCHEMBL30276938 0.73 CTSL (0.47) CASP3CASP6CASP8

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-1754475-B1 Use of C-terminal modified oxamyl dipeptides as inhibitors of the ice/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS INC (US) 2009-09-16 EP disclosed
US-7183260-B2 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2007-02-27 US disclosed
US-7183260-B2 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2007-02-27 US disclosed