SCHEMBL19015829

SCHEMBL19015829

CC(C)[S+]([O-])/C=C/C(CC(=O)O)NC(=O)CNC(=O)C(NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1)C1Cc2ccccc2C1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 19/20 0.60
▸ CASP7 P55210 14/20 0.60
▸ CASP1 P29466 7/20 0.60
▸ CASP9 P55211 5/20 0.43
▸ CASP4 P49662 3/20 0.43
▸ CASP10 Q92851 3/20 0.42
▸ CASP8 Q14790 2/20 0.42
▸ CASP2 P42575 1/20 0.41
▸ CASP5 P51878 1/20 0.41
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39

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
SCHEMBL19015902 0.96 CASP3 (0.56) CASP3CASP7CASP1CASP9CASP4
SCHEMBL19015901 0.93 CASP3 (0.59) CASP3CASP7CASP1CASP9CASP4
SCHEMBL19015809 0.89 CASP3 (0.57) CASP3CASP7CASP1CASP9CASP4
SCHEMBL7879121 0.86 CASP3 (0.77) CASP3CASP7CASP1CASP9CASP4
SCHEMBL18781763 0.86 CASP3 (0.77) CASP3CASP7CASP1CASP9CASP4
SCHEMBL19015946 0.85 CASP3 (0.60) CASP3CASP7CASP1CTSLCTSB
SCHEMBL19015925 0.84 CASP3 (0.53) CASP3CASP7CASP1CASP9CASP4
SCHEMBL18781767 0.79 CASP3 (0.78) CASP3CASP7CASP1CASP9CASP4
SCHEMBL19015963 0.79 CASP3 (0.48) CASP3CASP7CASP1CASP9CASP4
SCHEMBL19015975 0.79 CASP3 (0.44) 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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