SCHEMBL19015827

SCHEMBL19015827

CC[C@H](NC=O)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(/C=C/S(C)(=O)=O)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 14/20 0.46
▸ CASP7 P55210 8/20 0.46
▸ CASP1 P29466 6/20 0.46
▸ CASP9 P55211 5/20 0.46
▸ TASP1 Q9H6P5 1/20 0.46
▸ CASP4 P49662 4/20 0.42
▸ CASP5 P51878 3/20 0.42
▸ CASP8 Q14790 3/20 0.42
▸ CASP10 Q92851 3/20 0.42
▸ CASP6 P55212 2/20 0.42
▸ CTSC P53634 1/20 0.41
▸ PSMB5 P28074 2/20 0.38
▸ PSMB8 P28062 1/20 0.38
▸ PSMB10 P40306 1/20 0.38
▸ PSMB2 P49721 1/20 0.38
▸ BMP1 P13497 2/20 0.35
▸ CASP2 P42575 1/20 0.33

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
SCHEMBL19015945 0.94 CASP3 (0.49) CASP3CASP7CASP1CASP9TASP1
SCHEMBL19015826 0.77 PSMB5 (0.36) CASP3CASP7CASP1CASP9TASP1
SCHEMBL18471954 0.77 CASP3 (0.69) CASP3CASP7CASP1CASP9CASP4
SCHEMBL19944475 0.76 CASP3 (0.44) CASP3CASP7CASP1CASP9CTSC
SCHEMBL19015757 0.74 BMP1 (0.36) CASP3CASP7CASP1CASP9BMP1
SCHEMBL19015752 0.74 CASP3 (0.79) CASP3CASP7CASP1CASP9CASP4
SCHEMBL19944566 0.72 CASP3 (0.72) CASP3CASP7CASP1CASP9CASP4
SCHEMBL97580 0.72 GLO1 (0.40) BMP1
SCHEMBL9800725 0.70 MME (0.42) —
SCHEMBL15459254 0.69 CTSC (0.63) CASP3CASP7CASP1CASP9TASP1

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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