SCHEMBL19015940

SCHEMBL19015940

CC(C)C(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)NCC(=O)NC(/C=C/[S+]([O-])c1ccccc1)CC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 17/20 0.61
▸ CASP7 P55210 12/20 0.61
▸ CASP1 P29466 6/20 0.59
▸ CASP9 P55211 4/20 0.58
▸ REN P00797 1/20 0.49
▸ CASP4 P49662 2/20 0.48
▸ CASP10 Q92851 2/20 0.47
▸ CASP8 Q14790 1/20 0.47
▸ CTSL P07711 1/20 0.45
▸ CTSB P07858 1/20 0.45

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
SCHEMBL19015963 0.85 CASP3 (0.48) CASP3CASP7CASP1CASP9CASP4
SCHEMBL19015930 0.77 CASP3 (0.78) CASP3CASP7CASP1CASP9CASP4
SCHEMBL18782016 0.76 CASP3 (1.00) CASP3CASP7CASP1CASP9CASP4
SCHEMBL16376154 0.76 CASP3 (1.00) CASP3CASP7CASP1CASP9CASP4
SCHEMBL9961951 0.76 CASP3 (1.00) CASP3CASP7CASP1CASP9CASP4
SCHEMBL19015752 0.75 CASP3 (0.79) CASP3CASP7CASP1CASP9CASP4
SCHEMBL18782018 0.75 CASP3 (0.69) CASP3CASP7CASP1CASP9CASP4
SCHEMBL18472477 0.75 CASP3 (0.69) CASP3CASP7CASP1CASP9CASP4
SCHEMBL18471571 0.74 CASP1 (1.00) CASP3CASP7CASP1CASP9CASP4
SCHEMBL7975479 0.74 CASP1 (1.00) 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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