SCHEMBL8173185

SCHEMBL8173185

CN(C)c1cc(Cl)c(Sc2nnnn2CC(=O)C(CC(=O)O)NC(=O)OCc2ccccc2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 17/20 0.44
CASP3 P42574 3/20 0.40

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
Hydrochloric Acid SCHEMBL7691858 0.99 CASP1 (0.44) CASP1CASP3
SCHEMBL8164651 0.91 CASP1 (0.43) CASP1CASP3
SCHEMBL7686252 0.91 CASP1 (0.46) CASP1CASP3
SCHEMBL7679831 0.91 CASP1 (0.47) CASP1CASP3
Hydrochloric Acid SCHEMBL7689577 0.91 CASP1 (0.42) CASP1CASP3
SCHEMBL7680995 0.89 CASP1 (0.53) CASP1CASP3
SCHEMBL7683738 0.87 ALDH1A1 (0.36) CASP1CASP3
SCHEMBL7686892 0.87 CASP1 (0.42) CASP1CASP3
SCHEMBL7686487 0.87 CASP1 (0.53) CASP1CASP3
SCHEMBL7686151 0.87 ALDH1A1 (0.35) 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 4 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-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