SCHEMBL7683748

SCHEMBL7683748

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CC(=O)O)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 8/20 0.49
CASP3 P42574 13/20 0.46
CASP7 P55210 9/20 0.44
CASP9 P55211 3/20 0.44
CASP4 P49662 1/20 0.42
CASP10 Q92851 1/20 0.41
CASP6 P55212 1/20 0.40
CASP8 Q14790 1/20 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
SCHEMBL8169892 0.93 CASP1 (0.43) CASP1CASP3CASP7CASP9CASP4
SCHEMBL7679754 0.92 CASP1 (0.51) CASP1CASP3CASP6CASP8
SCHEMBL7683929 0.91 CASP1 (0.58) CASP1CASP3
SCHEMBL7679078 0.86 CASP1 (0.54) CASP1CASP3
SCHEMBL7683989 0.86 CASP1 (0.51) CASP1CASP3
SCHEMBL7680872 0.85 CASP1 (0.49) CASP1CASP3
SCHEMBL8173214 0.85 CASP1 (0.49) CASP1CASP3
SCHEMBL7680051 0.85 CASP1 (0.51) CASP1CASP3
SCHEMBL8176656 0.85 CASP1 (0.44) CASP1CASP3CASP6CASP8
SCHEMBL7437778 0.84 CYP1A2 (0.53) CASP1CASP3CASP7CASP9CASP4

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