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SCHEMBL19015956

SCHEMBL19015956

CC(C)(C)OC(=O)CC(/C=C/[S+]([O-])c1ccccc1)NC(=O)CNC(=O)C(Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 11/20 0.57
▸ CASP7 P55210 7/20 0.51
▸ CASP1 P29466 2/20 0.49
▸ CASP9 P55211 2/20 0.49
▸ CTSL P07711 5/20 0.37
▸ CTSB P07858 5/20 0.37
▸ CTSS P25774 2/20 0.37
▸ PSMB5 P28074 1/20 0.36
▸ CTSK P43235 1/20 0.36

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
SCHEMBL18782015 0.88 CASP3 (0.66) CASP3CASP7CASP1CASP9PSMB5
SCHEMBL19015960 0.85 CASP3 (0.57) CASP3CASP7CASP1CASP9CTSL
SCHEMBL19015942 0.79 CASP3 (0.80) CASP3CASP7CASP1CASP9
SCHEMBL19015906 0.78 CASP3 (0.80) CASP3CASP7CASP1CASP9
SCHEMBL19015889 0.78 CASP3 (0.67) CASP3CASP7CASP1CASP9CTSL
SCHEMBL7888300 0.78 CASP3 (0.67) CASP3CASP7CASP1CASP9CTSL
SCHEMBL9961871 0.78 CASP3 (0.67) CASP3CASP7CASP1CASP9CTSL
SCHEMBL19015824 0.78 CASP3 (0.59) CASP3CASP7CASP1CASP9CTSL
SCHEMBL19015899 0.77 CASP3 (0.82) CASP3CASP7CASP1CASP9PSMB5
SCHEMBL7970356 0.77 CASP3 (0.82) CASP3CASP7CASP1CASP9PSMB5

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
EP-2288615-B1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF GENESIS TECH LTD (BB) 2017-06-21 — — EP disclosed
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