SCHEMBL4553474

SCHEMBL4553474

CC(C)C[C@H](NC(=O)NOCc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.56
LTA4H P09960 1/20 0.55
MME P08473 2/20 0.54
CTSK P43235 2/20 0.54
ANPEP P15144 1/20 0.51

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
SCHEMBL4553472 1.00 FOLH1 (0.56) FOLH1LTA4HMMECTSKANPEP
SCHEMBL10878767 0.83 MME (0.62) LTA4HMME
SCHEMBL8862574 0.82 MME (0.52) LTA4HMMECTSK
SCHEMBL8862571 0.82 MME (0.52) LTA4HMMECTSK
SCHEMBL5557381 0.81 LTA4H (0.47) LTA4HMMECTSK
SCHEMBL5099185 0.81 MME (0.54) FOLH1LTA4HMMECTSK
SCHEMBL5099195 0.81 MME (0.54) FOLH1LTA4HMMECTSK
SCHEMBL222158 0.80 CTSK (0.76) MMECTSK
SCHEMBL1823902 0.80 CTSK (0.76) MMECTSK
SCHEMBL2366985 0.80 CTSK (0.76) MMECTSK

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 2 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
EP-1754475-A1 Use of C-terminal modified oxamyl dipeptides as inhibitors of the ice/ced-3 family of cysteine proteases Idun Pharmaceuticals, Inc. (US) 2007-02-21 EP disclosed