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SCHEMBL20052414

SCHEMBL20052414

CCC(C)C(NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@H](/C=C(\Cl)S(C)(=O)=O)CC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 19/20 0.72
▸ CASP1 P29466 9/20 0.72
▸ CASP9 P55211 7/20 0.72
▸ CASP10 Q92851 4/20 0.72
▸ CASP4 P49662 4/20 0.72
▸ CASP8 Q14790 3/20 0.72
▸ CASP5 P51878 2/20 0.72
▸ CASP6 P55212 2/20 0.72
▸ CASP7 P55210 13/20 0.71
▸ 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
SCHEMBL15462663 1.00 CASP3 (0.72) CASP3CASP1CASP9CASP10CASP4
SCHEMBL20355928 1.00 CASP3 (0.72) CASP3CASP1CASP9CASP10CASP4
SCHEMBL9962302 0.93 CASP3 (0.81) CASP3CASP1CASP9CASP10CASP4
SCHEMBL15462675 0.89 CASP3 (0.90) CASP3CASP1CASP9CASP10CASP4
SCHEMBL15462722 0.88 CASP3 (0.64) CASP3CASP1CASP9CASP10CASP4
SCHEMBL20356006 0.87 CASP3 (0.78) CASP3CASP1CASP9CASP10CASP4
SCHEMBL15462693 0.87 CASP3 (0.78) CASP3CASP1CASP9CASP10CASP4
SCHEMBL15462725 0.87 CASP3 (0.78) CASP3CASP1CASP9CASP10CASP4
SCHEMBL9962287 0.86 CASP3 (0.66) CASP3CASP1CASP9CASP10CASP4
SCHEMBL15462667 0.85 CASP3 (0.67) CASP3CASP1CASP9CASP10CASP4

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
US-9944674-B2 Selective cysteine protease inhibitors and uses thereof GENESIS TECHNOLOGIES LIMITED (BB) 2018-04-17 — — US disclosed