SCHEMBL19015820

SCHEMBL19015820

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 12/20 0.44
▸ CASP7 P55210 6/20 0.44
▸ CASP1 P29466 4/20 0.44
▸ CASP4 P49662 2/20 0.44
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ PSMB5 P28074 4/20 0.40
▸ PSMB8 P28062 1/20 0.37
▸ PSMB10 P40306 1/20 0.37
▸ PSMB2 P49721 1/20 0.37
▸ CASP9 P55211 2/20 0.37
▸ CASP2 P42575 1/20 0.37
▸ CASP5 P51878 1/20 0.37
▸ CASP8 Q14790 1/20 0.37
▸ CASP10 Q92851 1/20 0.37
▸ REN P00797 1/20 0.35
▸ GPR88 Q9GZN0 1/20 0.34

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
SCHEMBL19015922 0.87 CASP3 (0.61) CASP3CASP7CASP1CASP4PSMB5
SCHEMBL18782201 0.87 CASP3 (0.61) CASP3CASP7CASP1CASP4PSMB5
SCHEMBL19015826 0.82 PSMB5 (0.36) CASP3CASP7CASP1CASP4PSMB5
SCHEMBL19015900 0.81 CASP3 (0.51) CASP3CASP7CASP1CASP4CTSS
SCHEMBL19015923 0.78 CASP3 (0.55) CASP3CASP7CASP1CASP4PSMB5
SCHEMBL18782202 0.76 CASP3 (0.53) CASP3CASP7CASP1CASP4PSMB5
SCHEMBL19015746 0.76 CASP3 (0.59) CASP3CASP7CASP1CASP4PSMB5
SCHEMBL7884220 0.75 CASP3 (0.52) CASP3CASP7CASP1CASP4CTSS
SCHEMBL19015962 0.75 CASP3 (0.75) CASP3CASP7CASP1CASP4PSMB5
SCHEMBL18782011 0.75 CASP3 (0.75) CASP3CASP7CASP1CASP4PSMB5

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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