SCHEMBL7697303

SCHEMBL7697303

O=C(O)CC(NC(=O)OCc1ccccc1)C(=O)Cn1nnnc1Cc1nc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.46
ITGAV P06756 3/20 0.46
ITGA2B P08514 1/20 0.46
CASP1 P29466 16/20 0.45
ITGB1 P05556 1/20 0.42
ITGA5 P08648 1/20 0.42
ITGB5 P18084 1/20 0.42
CASP3 P42574 1/20 0.42

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 SCHEMBL7698310 0.99 ITGB3 (0.45) ITGB3ITGAVITGA2BCASP1ITGB1
SCHEMBL7681991 0.87 CASP1 (0.53) CASP1
SCHEMBL7677209 0.86 CASP1 (0.46) ITGB3ITGAVCASP1
Hydrochloric Acid SCHEMBL7693610 0.85 CASP1 (0.46) ITGB3ITGAVCASP1
SCHEMBL7684370 0.83 MAPK1 (0.46) CASP1
SCHEMBL7701528 0.83 ITGB3 (0.46) ITGB3ITGAVITGA2BCASP1
SCHEMBL7700640 0.83 CASP1 (0.46) CASP1
SCHEMBL7677049 0.83 CASP1 (0.56) CASP1
SCHEMBL7684172 0.83 CASP1 (0.51) CASP1
Hydrochloric Acid SCHEMBL7696251 0.83 ITGB3 (0.45) ITGB3ITGAVITGA2BCASP1

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-6376484-B1 FOR PREVENTION AND/OR TREATMENT OF VARIOUS KINDS OF INFLAMMATORY DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2002-04-23 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