SCHEMBL8549358

SCHEMBL8549358

CC(NC(=O)OCc1ccccc1)(NC(=O)C1CC(CCCNC2=NCCN2)=NO1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.45
ITGAV P06756 17/20 0.45
ITGA2B P08514 7/20 0.44
MALT1 Q9UDY8 1/20 0.42

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
SCHEMBL7406830 0.83 ITGB3 (0.66) ITGB3ITGAVITGA2B
SCHEMBL7980601 0.81 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL7401937 0.75 ITGB3 (0.51) ITGB3ITGAVITGA2B
SCHEMBL7347923 0.75 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL8646899 0.74 ITGB3 (0.43) ITGB3ITGAVITGA2BMALT1
SCHEMBL8646936 0.73 ITGB3 (0.42) ITGB3ITGAVITGA2BMALT1
SCHEMBL7405908 0.70 ITGB3 (0.51) ITGB3ITGAVITGA2B
SCHEMBL8647489 0.70 ITGB3 (0.43) ITGB3ITGAVITGA2BMALT1
SCHEMBL7347802 0.69 ITGB3 (0.38) ITGB3ITGAVITGA2B
SCHEMBL8643354 0.69 ITGB3 (0.42) 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 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