SCHEMBL19015795

SCHEMBL19015795

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

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 20/20 0.73
▸ CASP7 P55210 11/20 0.73
▸ CASP1 P29466 7/20 0.62
▸ CASP9 P55211 5/20 0.62
▸ CASP4 P49662 2/20 0.49
▸ CASP5 P51878 1/20 0.49
▸ CASP6 P55212 1/20 0.49
▸ CASP8 Q14790 1/20 0.49
▸ CASP10 Q92851 1/20 0.49

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
SCHEMBL19015846 0.89 CASP3 (0.74) CASP3CASP7CASP1CASP9CASP4
SCHEMBL7888498 0.84 CASP3 (1.00) CASP3CASP7CASP1CASP9CASP4
SCHEMBL18782029 0.84 CASP3 (1.00) CASP3CASP7CASP1CASP9CASP4
SCHEMBL16376133 0.84 CASP3 (1.00) CASP3CASP7CASP1CASP9CASP4
SCHEMBL9961954 0.84 CASP3 (1.00) CASP3CASP7CASP1CASP9CASP4
SCHEMBL18471461 0.83 CASP3 (0.86) CASP3CASP7CASP1CASP9CASP4
SCHEMBL20052394 0.78 CASP3 (0.60) CASP3CASP7CASP1CASP9CASP4
SCHEMBL20349096 0.78 CASP3 (0.60) CASP3CASP7CASP1CASP9CASP4
SCHEMBL15459249 0.78 CASP3 (0.60) CASP3CASP7CASP1CASP9CASP4
SCHEMBL18781766 0.78 CASP3 (0.88) 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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