SCHEMBL5203778

SCHEMBL5203778

CCOC(=O)[C@H](Cc1ccc2oc(CCCN(C(=O)OCC(Cl)(Cl)Cl)c3ncc[nH]3)cc(=O)c2c1)NC(=O)OCC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32

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
SCHEMBL6495275 0.94 ITGB3 (0.36) ITGB3ITGAV
SCHEMBL5207840 0.89 MAPT (0.32) ITGB3ITGAV
SCHEMBL14431254 0.89 MAPT (0.32) ITGB3ITGAV
SCHEMBL5203532 0.83 ITGB3 (0.34) ITGB3ITGAV
SCHEMBL5206753 0.80 ALOX15 (0.39) ITGB3ITGAV
SCHEMBL5205119 0.78 ITGB3 (0.38) ITGB3ITGAV
SCHEMBL5207016 0.77 ITGB1 (0.42) ITGB3ITGAV
SCHEMBL14431257 0.77 ITGB1 (0.42) ITGB3ITGAV
SCHEMBL5208511 0.77 ITGB3 (0.37) ITGB3ITGAV
SCHEMBL14431276 0.76 ITGB3 (0.39) ITGB3ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124824-B1 CHROMENONE AND CHROMANONE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2007-08-22 EP disclosed
EP-1124824-A1 CHROMENONE AND CHROMANONE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GmbH (DE) 2001-08-22 EP disclosed
WO-2000026212-A1 CHROMENONE AND CHROMANONE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2000-05-11 WO disclosed