SCHEMBL19015773

SCHEMBL19015773

CC[C@H](NC=O)C(=O)NC(C(=O)NCC(=O)NC(/C=C/[S+](C)[O-])CC(=O)OC(C)(C)C)C1Cc2ccccc2C1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.37
▸ CASP7 P55210 2/20 0.35
▸ CASP1 P29466 1/20 0.35

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
SCHEMBL19015831 0.93 CASP3 (0.43) CASP3CASP7CASP1
SCHEMBL19015847 0.89 CASP3 (0.45) CASP3CASP7CASP1
SCHEMBL19015975 0.85 CASP3 (0.44) CASP3CASP7CASP1
SCHEMBL19015925 0.84 CASP3 (0.53) CASP3CASP7CASP1
SCHEMBL19015774 0.82 CASP3 (0.41) CASP3CASP7CASP1
SCHEMBL19015946 0.77 CASP3 (0.60) CASP3CASP7CASP1
SCHEMBL19015919 0.77 CASP3 (0.39) CASP3CASP7CASP1
SCHEMBL19015809 0.76 CASP3 (0.57) CASP3CASP7CASP1
SCHEMBL19015901 0.76 CASP3 (0.59) CASP3CASP7CASP1
SCHEMBL18782310 0.73 CASP3 (0.69) CASP3CASP7CASP1

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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