SCHEMBL8552846

SCHEMBL8552846

O=C(NCC(NS(=O)(=O)c1ccccc1-c1ccccc1)C(=O)O)C1=NOC(CCCCNc2ccccn2)C1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.82
ITGAV P06756 17/20 0.82
ITGA2B P08514 17/20 0.82

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
SCHEMBL7402257 0.90 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7398015 0.90 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7405151 0.89 ITGB3 (0.92) ITGB3ITGAVITGA2B
SCHEMBL7400624 0.87 ITGB3 (0.82) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL7403079 0.86 ITGB3 (0.91) ITGB3ITGAVITGA2B
SCHEMBL7403221 0.86 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL8552844 0.82 ITGB3 (0.56) ITGB3ITGAVITGA2B
SCHEMBL8552416 0.82 ITGB3 (0.74) ITGB3ITGAVITGA2B
SCHEMBL246301 0.82 ITGB3 (0.81) ITGB3ITGAVITGA2B
SCHEMBL7410391 0.79 ITGB3 (1.00) ITGB3ITGAVITGA2B

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
EP-0828737-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-18 EP disclosed