SCHEMBL8458591

SCHEMBL8458591

O=C(NC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.75
ITGA2B P08514 12/20 0.75
ITGAV P06756 9/20 0.70

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
SCHEMBL8458584 1.00 ITGB3 (0.75) ITGB3ITGA2BITGAV
SCHEMBL7398120 0.90 ITGB3 (0.69) ITGB3ITGA2BITGAV
SCHEMBL7398404 0.88 ITGB3 (0.79) ITGB3ITGA2BITGAV
SCHEMBL6941849 0.83 ITGB3 (0.64) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL7488060 0.83 ITGB3 (0.98) ITGB3ITGA2BITGAV
SCHEMBL7402090 0.83 ITGB3 (0.77) ITGB3ITGA2BITGAV
SCHEMBL6941856 0.83 ITGB3 (0.64) ITGB3ITGA2BITGAV
SCHEMBL8459092 0.82 ITGAV (0.56) ITGB3ITGA2BITGAV
SCHEMBL7402173 0.82 ITGB3 (0.62) ITGB3ITGA2BITGAV
SCHEMBL8454591 0.82 ITGB3 (0.75) ITGB3ITGA2BITGAV

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929120-A Guainidino, formamidino, amino and related compounds for inhibiting osteoclast-mediated bone resorption MERCK & CO., INC. (US) 1999-07-27 US disclosed