SCHEMBL7685678

SCHEMBL7685678

CCSc1nnn(CC(=O)C(CC(=O)O)NC(=O)OCc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 19/20 0.51
CASP3 P42574 1/20 0.44

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
SCHEMBL7686211 0.88 CASP1 (0.54) CASP1
SCHEMBL7683403 0.87 CASP3 (0.51) CASP1CASP3
SCHEMBL14158050 0.87 CTSK (0.52)
SCHEMBL7680372 0.85 CASP1 (0.48) CASP1CASP3
SCHEMBL7679972 0.85 CASP3 (0.48) CASP1CASP3
SCHEMBL7680022 0.85 CASP1 (0.50) CASP1CASP3
SCHEMBL7687232 0.84 CASP1 (0.54) CASP1CASP3
SCHEMBL7679437 0.84 CASP1 (0.52) CASP1CASP3
SCHEMBL7679592 0.84 CASP1 (0.48) CASP1
SCHEMBL7435530 0.84 CYP1A2 (0.63) 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