SCHEMBL6506524

SCHEMBL6506524

O=C(O)[C@H](Cc1ccc2oc(CCCNc3ncc[nH]3)cc(=O)c2c1)NS(=O)(=O)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.40
ITGA2B P08514 16/20 0.40
ITGAV P06756 16/20 0.40
ITGB1 P05556 1/20 0.36
ITGA5 P08648 1/20 0.36

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
SCHEMBL6505728 0.91 ITGB3 (0.49) ITGB3ITGA2BITGAV
SCHEMBL6495597 0.89 ITGB3 (0.39) ITGB3ITGA2BITGAV
SCHEMBL3039366 0.89 ITGB3 (0.40) ITGB3ITGA2BITGAV
SCHEMBL5204669 0.87 ITGB1 (0.49) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL6504314 0.87 ITGB3 (0.44) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL14431276 0.79 ITGB3 (0.39) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL3046466 0.79 ITGB3 (0.39) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL6495002 0.78 ITGB3 (0.41) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL6505393 0.78 ITGB3 (0.42) ITGB3ITGAVITGB1ITGA5
SCHEMBL5204428 0.78 ITGB1 (0.47) ITGB3ITGA2BITGAVITGB1ITGA5

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
US-6849646-B1 Chromenone and chromanone derivatives as integrin inhibitors MERCK PATENT GMBH (DE) 2005-02-01 US 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