SCHEMBL19015900

SCHEMBL19015900

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 14/20 0.51
▸ CASP7 P55210 8/20 0.49
▸ CASP1 P29466 4/20 0.42
▸ CASP9 P55211 4/20 0.42
▸ PSMB5 P28074 4/20 0.37
▸ PSMB8 P28062 1/20 0.37
▸ PSMB10 P40306 1/20 0.37
▸ PSMB2 P49721 1/20 0.37
▸ 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 0.32
▸ CTSK P43235 1/20 0.32

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
SCHEMBL19015820 0.81 CASP3 (0.44) CASP3CASP7CASP1CASP9PSMB5
SCHEMBL19015826 0.80 PSMB5 (0.36) CASP3CASP7CASP1CASP9PSMB5
SCHEMBL19015819 0.79 CASP3 (0.44) CASP3CASP7CASP1CASP9CTSS
SCHEMBL19015906 0.78 CASP3 (0.80) CASP3CASP7CASP1CASP9CASP2
SCHEMBL7970356 0.77 CASP3 (0.82) CASP3CASP7CASP1CASP9PSMB5
SCHEMBL19015899 0.77 CASP3 (0.82) CASP3CASP7CASP1CASP9PSMB5
SCHEMBL19015943 0.76 CASP3 (0.53) CASP3CASP7CASP1CASP9PSMB8
SCHEMBL19015956 0.76 CASP3 (0.57) CASP3CASP7CASP1CASP9PSMB5
SCHEMBL19015960 0.75 CASP3 (0.57) 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
Send feedback