SCHEMBL7682316

SCHEMBL7682316

O=C(O)CC(NC(=O)OCCC1CCCCC1)C(=O)Cn1nnnc1Sc1c(Cl)cccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 12/20 0.41
CASP3 P42574 5/20 0.37
CASP6 P55212 1/20 0.37
CASP8 Q14790 1/20 0.37
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.32
GHSR Q92847 1/20 0.32

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
SCHEMBL7682125 0.92 CASP1 (0.39) CASP1CASP3CASP6CASP8ALDH1A1
SCHEMBL7681919 0.85 CASP1 (0.38) CASP1CASP3ALDH1A1
SCHEMBL7681935 0.85 CASP1 (0.41) CASP1CASP3CASP6CASP8
SCHEMBL7679421 0.85 CASP1 (0.43) CASP1CASP3ALDH1A1
SCHEMBL7676849 0.85 CASP1 (0.38) CASP1CASP3ALDH1A1GHSR
SCHEMBL7675762 0.83 CASP1 (0.37) CASP1CASP3CASP6CASP8ALDH1A1
SCHEMBL7686197 0.83 CASP1 (0.37) CASP1CASP3ALDH1A1GHSR
SCHEMBL7680995 0.83 CASP1 (0.53) CASP1CASP3
SCHEMBL7683990 0.83 CASP1 (0.40) CASP1CASP3
SCHEMBL7677095 0.82 CASP1 (0.36) CASP1CASP3GHSR

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