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SCHEMBL7879243

SCHEMBL7879243

CC(C)C(NC(=O)[C@@H](NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)c1ccccc1)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(=O)OC(C)(C)C

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 18/20 0.80
▸ CASP7 P55210 11/20 0.80
▸ CASP1 P29466 7/20 0.80
▸ CASP4 P49662 3/20 0.80
▸ CASP9 P55211 5/20 0.65
▸ CASP10 Q92851 3/20 0.63
▸ CASP8 Q14790 2/20 0.61
▸ PSMB5 P28074 2/20 0.58
▸ CASP5 P51878 1/20 0.55
▸ CASP6 P55212 1/20 0.55

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
SCHEMBL7888477 1.00 CASP3 (0.80) CASP3CASP7CASP1CASP4CASP9
SCHEMBL9961962 0.95 CASP3 (0.72) CASP3CASP7CASP1CASP4CASP9
SCHEMBL15462634 0.94 CASP3 (0.74) CASP3CASP7CASP1CASP4CASP9
SCHEMBL16770350 0.93 CASP3 (0.70) CASP3CASP7CASP1CASP4CASP9
SCHEMBL9962321 0.93 CASP3 (0.70) CASP3CASP7CASP1CASP4CASP9
SCHEMBL7885014 0.92 CASP3 (0.85) CASP3CASP7CASP1CASP4CASP9
SCHEMBL20052369 0.92 CASP3 (0.70) CASP3CASP7CASP1CASP4CASP9
SCHEMBL9962253 0.91 CASP3 (0.83) CASP3CASP7CASP1CASP4CASP9
SCHEMBL7887099 0.90 CASP3 (0.76) CASP3CASP7CASP1CASP4CASP9
SCHEMBL7886294 0.89 CASP3 (1.00) CASP3CASP7CASP1CASP4CASP9

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
WO-2010133000-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES INC. (CA) 2010-11-25 — — WO disclosed