SCHEMBL27544004

SCHEMBL27544004

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)CBr

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 7/20 0.59
CASP1 P29466 14/20 0.55
CASP7 P55210 5/20 0.54
CASP9 P55211 2/20 0.54
CASP8 Q14790 3/20 0.52
CASP4 P49662 2/20 0.51
CASP10 Q92851 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
SCHEMBL27544008 1.00 CASP3 (0.59) CASP3CASP1CASP7CASP9CASP8
SCHEMBL7472606 0.96 CASP3 (0.56) CASP3CASP1CASP7CASP9CASP8
SCHEMBL7197707 0.89 CASP3 (0.50) CASP3CASP1CASP7CASP9CASP8
SCHEMBL4466395 0.89 CASP3 (0.60) CASP3CASP1CASP7CASP9CASP8
SCHEMBL29384302 0.89 CASP3 (0.60) CASP3CASP1CASP7CASP9CASP8
SCHEMBL26071633 0.89 CASP3 (0.60) CASP3CASP1CASP7CASP9CASP8
SCHEMBL19067195 0.89 CASP1 (0.57) CASP1
SCHEMBL4420464 0.89 CASP3 (0.67) CASP3CASP1CASP7CASP9CASP8
SCHEMBL7383742 0.89 CASP3 (0.67) CASP3CASP1CASP7CASP9CASP8
SCHEMBL10074125 0.88 CASP3 (0.49) CASP3CASP1CASP7CASP9CASP8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1313846-A C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cystenine proteases IDUN PHARMACEUTICALS INC (US) 2001-09-19 CN disclosed