SCHEMBL5202544

SCHEMBL5202544

CCOC(=O)[C@H](Cc1ccc2c(c1)C(=O)CC(O)(CCCN(C(=O)OCC(Cl)(Cl)Cl)c1ccccn1)O2)NC(=O)OCC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31

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
SCHEMBL6502342 0.94 ITGB3 (0.36) ITGB3ITGAV
SCHEMBL5202520 0.80 ITGB3 (0.37) ITGB3ITGAV
SCHEMBL5204549 0.79 ITGB3 (0.37) ITGB3ITGAV
SCHEMBL5207840 0.78 MAPT (0.32) ITGB3ITGAV
SCHEMBL14431254 0.78 MAPT (0.32) ITGB3ITGAV
SCHEMBL6493594 0.73 ITGB3 (0.43) ITGB3ITGAV
SCHEMBL6493907 0.72 ITGB3 (0.42) ITGB3ITGAV
SCHEMBL6503598 0.71 ITGB1 (0.37) ITGB3ITGAV
SCHEMBL5203778 0.67 ITGB3 (0.32) ITGB3ITGAV
SCHEMBL6494232 0.65 MAPT (0.30)

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