SCHEMBL7685907

SCHEMBL7685907

O=C(O)CC(NC(=O)OCc1ccc2ccccc2c1)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 14/20 0.50
TGM2 P21980 1/20 0.42
CASP3 P42574 1/20 0.41
CNR2 P34972 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39

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
SCHEMBL7683929 0.91 CASP1 (0.58) CASP1CASP3
SCHEMBL8171877 0.91 ALDH1A1 (0.43) CASP1TGM2CNR2PTGDR2CTSL
SCHEMBL7680051 0.90 CASP1 (0.51) CASP1CASP3
SCHEMBL7680872 0.88 CASP1 (0.49) CASP1CASP3CNR2
SCHEMBL7683989 0.87 CASP1 (0.51) CASP1CASP3CNR2
SCHEMBL7680024 0.86 CASP1 (0.48) CASP1TGM2CASP3CNR2
SCHEMBL7679078 0.85 CASP1 (0.54) CASP1CASP3
SCHEMBL7680032 0.84 CASP1 (0.48) CASP1CASP3CNR2
SCHEMBL7679754 0.84 CASP1 (0.51) CASP1CASP3CNR2
SCHEMBL7687015 0.84 CASP1 (0.46) CASP1CASP3CNR2

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