SCHEMBL7440137

SCHEMBL7440137

COc1cccc(OC)c1-c1nnnn1CC(=O)C(CC(=O)OC(C)(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCc1ccccc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 6/20 0.42
REN P00797 2/20 0.37
CASP3 P42574 8/20 0.37
CASP8 Q14790 7/20 0.37
CASP7 P55210 6/20 0.37
HRH1 P35367 5/20 0.36
CCKBR P32239 1/20 0.36
BACE1 P56817 1/20 0.35
KLK5 Q9Y337 1/20 0.34

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
SCHEMBL7429909 0.92 CASP1 (0.48) CASP1CASP3CASP8CASP7HRH1
SCHEMBL7432245 0.89 CASP1 (0.42) CASP1RENCASP3CASP8CASP7
SCHEMBL7435774 0.87 CASP1 (0.41) CASP1RENCCKBRBACE1
SCHEMBL7429733 0.86 CASP1 (0.42) CASP1RENCASP3CASP8CASP7
SCHEMBL7427145 0.83 CASP1 (0.49) CASP1CASP3CASP8CASP7HRH1
SCHEMBL7431671 0.82 CASP1 (0.49) CASP1CASP3CASP8CASP7HRH1
SCHEMBL7441956 0.82 CASP1 (0.48) CASP1CASP3CASP8CASP7HRH1
SCHEMBL7432271 0.81 CASP1 (0.51) CASP1CASP3CASP8CASP7HRH1
SCHEMBL7441949 0.80 CASP3 (0.42) CASP1CASP3
SCHEMBL7437728 0.79 CASP1 (0.49) CASP1CASP3CASP8CASP7HRH1

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
US-5710153-A INTERLEUKIN CONVERTING ENZYME INHIBITORS ONO PHRAMACEUTICAL CO., LTD. (JP) 1998-01-20 US disclosed
EP-0761680-A2 Tetrazole compounds having Interleukin-1beta converting enzyme inhibitory activity ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-12 EP disclosed