SCHEMBL7680168

SCHEMBL7680168

O=C(O)CC(NC(=O)OCc1ccccc1)C(=O)Cn1nnnc1Sc1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 18/20 0.51
CASP3 P42574 2/20 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
SCHEMBL8164646 0.94 CASP1 (0.51) CASP1CASP3
SCHEMBL7683787 0.92 CASP3 (0.47) CASP1CASP3
SCHEMBL7679387 0.92 CASP3 (0.47) CASP1CASP3
SCHEMBL7680995 0.91 CASP1 (0.53) CASP1CASP3
SCHEMBL7683824 0.90 CASP3 (0.47) CASP1CASP3
SCHEMBL7686487 0.89 CASP1 (0.53) CASP1CASP3
SCHEMBL7686260 0.88 CASP1 (0.54) CASP1
SCHEMBL7684413 0.88 CASP1 (0.43) CASP1CASP3
SCHEMBL7679831 0.88 CASP1 (0.47) CASP1CASP3
SCHEMBL7679329 0.88 CASP3 (0.47) CASP1CASP3

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