SCHEMBL19015943

SCHEMBL19015943

O=CN[C@@H](CC(=O)O)C(=O)NC(Cc1ccc2ccccc2n1)C(=O)NCC(=O)NC(/C=C/S(=O)(=O)N1CCOCC1)CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 12/20 0.53
▸ CASP7 P55210 8/20 0.47
▸ CASP1 P29466 3/20 0.45
▸ CASP9 P55211 3/20 0.45
▸ CTSL P07711 2/20 0.36
▸ CTSB P07858 2/20 0.36
▸ PSMB8 P28062 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.34
▸ REN P00797 3/20 0.33
▸ CASP2 P42575 1/20 0.33
▸ CASP4 P49662 1/20 0.33
▸ CASP5 P51878 1/20 0.33
▸ CASP8 Q14790 1/20 0.33
▸ CASP10 Q92851 1/20 0.33
▸ CTSS P25774 1/20 0.33

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
SCHEMBL19015879 0.78 CASP3 (0.62) CASP3CASP7CASP1CASP9CTSL
SCHEMBL9961947 0.77 CASP3 (0.84) CASP3CASP7CASP1CASP9CASP4
SCHEMBL19015900 0.76 CASP3 (0.51) CASP3CASP7CASP1CASP9PSMB8
SCHEMBL19015906 0.76 CASP3 (0.80) CASP3CASP7CASP1CASP9CASP2
SCHEMBL18782278 0.73 CASP3 (0.80) CASP3CASP7CASP1CASP9CASP4
SCHEMBL18471680 0.72 CASP3 (0.47) CASP3CASP7CASP1CASP9CASP2
SCHEMBL18781769 0.71 CASP3 (0.76) CASP3CASP7CASP1CASP9CASP4
SCHEMBL19015795 0.71 CASP3 (0.73) CASP3CASP7CASP1CASP9CASP4
SCHEMBL18471461 0.70 CASP3 (0.86) CASP3CASP7CASP1CASP9CASP4
SCHEMBL19015961 0.70 CASP3 (0.73) CASP3CASP7CASP1CASP9CASP4

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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