SCHEMBL7434960

SCHEMBL7434960

COc1cccc(OC)c1-c1nnnn1CC(=O)C(CC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.51
CASP1 P29466 17/20 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
SCHEMBL7441949 0.90 CASP3 (0.42) CASP3CASP1
SCHEMBL7437562 0.87 CASP1 (0.55) CASP3CASP1
SCHEMBL7427155 0.87 CASP1 (0.54) CASP1
SCHEMBL7447398 0.85 CASP1 (0.53) CASP1
SCHEMBL7675681 0.85 CASP1 (0.53) CASP3CASP1
SCHEMBL7438326 0.84 CASP1 (0.50) CASP1
SCHEMBL7434554 0.84 CASP1 (0.52) CASP1
SCHEMBL7679329 0.83 CASP3 (0.47) CASP3CASP1
SCHEMBL7427484 0.83 CASP1 (0.47) CASP1
SCHEMBL7444248 0.83 CASP1 (0.47) CASP3CASP1

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 4 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 claimed
EP-0761680-A2 Tetrazole compounds having Interleukin-1beta converting enzyme inhibitory activity ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-12 EP claimed
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