SCHEMBL7679329

SCHEMBL7679329

COc1ccccc1Sc1nnnn1CC(=O)C(CC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.47
CASP1 P29466 19/20 0.46

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
SCHEMBL7680168 0.88 CASP1 (0.51) CASP3CASP1
SCHEMBL7686260 0.87 CASP1 (0.54) CASP1
SCHEMBL7682003 0.86 CASP1 (0.47) CASP1
SCHEMBL7679462 0.86 CASP1 (0.54) CASP1
SCHEMBL8164646 0.86 CASP1 (0.51) CASP3CASP1
SCHEMBL7684072 0.85 CASP3 (0.48) CASP3CASP1
SCHEMBL7685440 0.84 CASP1 (0.48) CASP3CASP1
SCHEMBL7686783 0.84 CASP1 (0.49) CASP3CASP1
SCHEMBL7682632 0.84 CASP1 (0.51) CASP1
SCHEMBL7679972 0.84 CASP3 (0.48) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6136834-A TETRAZOLE PEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US claimed
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP claimed
US-6376484-B1 FOR PREVENTION AND/OR TREATMENT OF VARIOUS KINDS OF INFLAMMATORY DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2002-04-23 US disclosed
US-6136834-A TETRAZOLE PEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP disclosed