SCHEMBL7686418

SCHEMBL7686418

O=C(O)CC(NC(=O)OCc1ccccc1)C(=O)Cn1nnc(Cc2ncc[nH]2)n1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 18/20 0.46
ITGB3 P05106 2/20 0.43
ITGAV P06756 2/20 0.43

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 SCHEMBL7696933 0.99 CASP1 (0.46) CASP1ITGB3ITGAV
SCHEMBL7683447 0.92 ITGB3 (0.46) CASP1ITGB3ITGAV
Hydrochloric Acid SCHEMBL7694941 0.92 ITGB3 (0.46) CASP1ITGB3ITGAV
SCHEMBL7682326 0.89 CNR2 (0.46) CASP1
SCHEMBL7684457 0.88 CASP1 (0.44) CASP1
Hydrochloric Acid SCHEMBL7689742 0.88 CNR2 (0.45) CASP1
SCHEMBL7675818 0.87 CASP1 (0.53) CASP1
SCHEMBL7678294 0.87 CASP1 (0.44) CASP1
Hydrochloric Acid SCHEMBL7691000 0.87 CASP1 (0.44) CASP1
Hydrochloric Acid SCHEMBL8171192 0.86 CASP1 (0.44) CASP1

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 2 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