SCHEMBL7679462

SCHEMBL7679462

O=C(O)CC(NC(=O)OCc1ccccc1)C(=O)Cn1nnnc1Sc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 20/20 0.54

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) CASP1
SCHEMBL8164646 0.87 CASP1 (0.51) CASP1
SCHEMBL7686260 0.87 CASP1 (0.54) CASP1
SCHEMBL7679329 0.86 CASP3 (0.47) CASP1
SCHEMBL7676980 0.85 CASP1 (0.54) CASP1
SCHEMBL7686783 0.84 CASP1 (0.49) CASP1
SCHEMBL7680995 0.84 CASP1 (0.53) CASP1
SCHEMBL7683344 0.84 CASP1 (0.53) CASP1
SCHEMBL7682300 0.84 CASP1 (0.50) CASP1
SCHEMBL7438498 0.83 CASP1 (0.54) CASP1

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