SCHEMBL7686945

SCHEMBL7686945

O=C(O)CC(NC(=O)OCc1ccccc1)C(=O)Cn1nnnc1CCc1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 3)

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

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 SCHEMBL7691377 0.99 ITGB3 (0.46) ITGB3ITGAVCASP1
SCHEMBL7677209 0.92 CASP1 (0.46) ITGB3ITGAVCASP1
Hydrochloric Acid SCHEMBL7693610 0.92 CASP1 (0.46) ITGB3ITGAVCASP1
SCHEMBL7683772 0.88 CASP1 (0.56) CASP1
SCHEMBL7681886 0.85 CASP1 (0.55) CASP1
SCHEMBL7684470 0.84 CASP1 (0.58) CASP1
SCHEMBL7683228 0.84 CASP1 (0.52) CASP1
SCHEMBL8308582 0.84 CASP1 (0.43) CASP1
SCHEMBL8172467 0.84 CASP1 (0.49) CASP1
SCHEMBL7683447 0.83 ITGB3 (0.46) ITGB3ITGAVCASP1

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