SCHEMBL7682343

SCHEMBL7682343

Cc1cc(Cl)c(Sc2nnn(CC(=O)C(CC(=O)O)NC(=O)OCc3ccccc3)n2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 5/20 0.47
CASP1 P29466 15/20 0.47

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
SCHEMBL7685815 0.93 CASP1 (0.48) CASP3CASP1
SCHEMBL7687232 0.91 CASP1 (0.54) CASP3CASP1
SCHEMBL8172541 0.91 CASP1 (0.45) CASP3CASP1
Hydrochloric Acid SCHEMBL7696916 0.90 CASP1 (0.44) CASP3CASP1
SCHEMBL7679583 0.89 CASP1 (0.50) CASP3CASP1
SCHEMBL7682603 0.89 CASP1 (0.43) CASP3CASP1
SCHEMBL7682352 0.89 CASP1 (0.54) CASP3CASP1
SCHEMBL7683403 0.89 CASP3 (0.51) CASP3CASP1
SCHEMBL7679437 0.88 CASP1 (0.52) CASP3CASP1
SCHEMBL7680372 0.87 CASP1 (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