SCHEMBL7559680

SCHEMBL7559680

COc1ccc(C(CC(=O)O)CC(=O)CCCCC2=CC=C3CCCNC3N2)cn1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.49
ITGB3 P05106 19/20 0.49
ITGA2B P08514 3/20 0.42
ITGB5 P18084 1/20 0.42
ITGB6 P18564 5/20 0.41
ITGB8 P26012 2/20 0.38
ITGB1 P05556 2/20 0.37
ITGA5 P08648 2/20 0.37

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
SCHEMBL7594213 0.78 ITGAV (0.62) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7557493 0.78 ITGAV (0.62) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7592186 0.78 ITGAV (0.62) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL4366546 0.78 ITGAV (0.45) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7590655 0.75 ITGAV (0.45) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7552889 0.75 ITGAV (0.45) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7592208 0.75 ITGAV (0.45) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7455913 0.74 ITGAV (0.82) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7457644 0.74 ITGAV (0.82) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7675781 0.74 ITGAV (0.82) ITGAVITGB3ITGA2BITGB5ITGB6

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-1040098-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-10-04 EP claimed
WO-1999031061-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 WO claimed