SCHEMBL8547845

SCHEMBL8547845

O=C(NC(CN(OCCCNC1=NCCN1)C(=O)c1ccno1)C(=O)O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.52
ITGAV P06756 15/20 0.52
ITGA2B P08514 8/20 0.43
MALT1 Q9UDY8 1/20 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
SCHEMBL8550471 0.83 ITGB3 (0.50) ITGB3ITGAVITGA2B
SCHEMBL8643210 0.82 ITGB3 (0.59) ITGB3ITGAVITGA2BMALT1
SCHEMBL8549756 0.79 ITGB3 (0.42) ITGB3ITGAVITGA2B
SCHEMBL8552072 0.79 MAPT (0.49) ITGB3ITGA2B
Iodide SCHEMBL7403599 0.78 ITGB3 (0.49) ITGB3ITGAVITGA2BMALT1
Iodide SCHEMBL7403601 0.78 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL5027067 0.78 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL6111422 0.78 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL7405166 0.76 ITGB3 (0.48) ITGB3ITGAVITGA2BMALT1
SCHEMBL8643217 0.76 ITGB3 (0.44) ITGB3ITGAVITGA2BMALT1

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