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SCHEMBL19015845

SCHEMBL19015845

CC(C)[C@H](NC(=O)C(Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C(\Cl)S(C)(=O)=O)CC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 20/20 1.00
▸ CASP7 P55210 14/20 1.00
▸ CASP1 P29466 7/20 1.00
▸ CASP9 P55211 5/20 1.00
▸ CASP10 Q92851 1/20 0.70
▸ CASP4 P49662 1/20 0.55

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
SCHEMBL7970067 1.00 CASP3 (1.00) CASP3CASP7CASP1CASP9CASP10
SCHEMBL19015898 1.00 CASP3 (1.00) CASP3CASP7CASP1CASP9CASP10
SCHEMBL18782013 0.94 CASP3 (0.88) CASP3CASP7CASP1CASP9CASP10
SCHEMBL7976025 0.91 CASP3 (0.83) CASP3CASP7CASP1CASP9CASP10
SCHEMBL20609295 0.90 CASP3 (0.81) CASP3CASP7CASP1CASP9CASP10
SCHEMBL18782029 0.89 CASP3 (1.00) CASP3CASP7CASP1CASP9CASP10
SCHEMBL16376133 0.89 CASP3 (1.00) CASP3CASP7CASP1CASP9CASP10
SCHEMBL9961954 0.89 CASP3 (1.00) CASP3CASP7CASP1CASP9CASP10
SCHEMBL7888498 0.89 CASP3 (1.00) CASP3CASP7CASP1CASP9CASP10
SCHEMBL16377056 0.87 CASP3 (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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