SCHEMBL7364542

SCHEMBL7364542

Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 8/20 0.53
CASP7 P55210 2/20 0.53
CASP1 P29466 12/20 0.53
CASP8 Q14790 2/20 0.49
CASP6 P55212 1/20 0.49
CASP9 P55211 1/20 0.49
CASP2 P42575 1/20 0.48

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
SCHEMBL13444229 0.84 CASP3 (0.46) CASP3CASP7CASP1CASP8CASP6
SCHEMBL8247253 0.83 CASP3 (0.67) CASP3CASP1CASP8CASP6
SCHEMBL7745119 0.83 CASP3 (0.67) CASP3CASP1CASP8CASP6
SCHEMBL29802248 0.83 CASP1 (0.54) CASP3CASP7CASP1CASP8CASP6
SCHEMBL29802526 0.83 CASP1 (0.54) CASP3CASP7CASP1CASP8CASP6
SCHEMBL7364481 0.82 CASP3 (0.62) CASP3CASP7CASP1CASP9
SCHEMBL27057949 0.81 CTSL (0.52) CASP3CASP7CASP1CASP8CASP2
SCHEMBL7423249 0.80 CASP1 (0.54) CASP3CASP7CASP1
SCHEMBL20756235 0.80 CTSL (0.54) CASP3CASP7CASP1CASP8CASP2
SCHEMBL19275168 0.80 CTSL (0.54) CASP3CASP7CASP1CASP8CASP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0611375-A1 PEPTIDES INHIBITING IL-1 BETA RELEASE SANDOZ LTD. (CH) 1994-08-24 EP disclosed
WO-1993009135-A1 PEPTIDES INHIBITING IL-1 BETA RELEASE SANDOZ LTD. (CH) 1993-05-13 WO disclosed