SCHEMBL7457633

SCHEMBL7457633

CC(C)(C)OC(=O)CCN(CCc1ccccc1)C(=O)C1CN(c2ccc(C(=N)N)cc2)C(=O)O1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.38
ITGA2B P08514 12/20 0.38
PRSS1 P07477 10/20 0.38
PRSS2 P07478 10/20 0.38
PRSS3 P35030 10/20 0.38
F10 P00742 9/20 0.38
F2 P00734 3/20 0.38
HPN P05981 1/20 0.36
HGFAC Q04756 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
TMPRSS11D O60235 1/20 0.33

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
SCHEMBL7465852 0.83 ITGB3 (0.38) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7461421 0.82 ITGB3 (0.42) ITGB3ITGA2BF10
SCHEMBL7462992 0.78 ITGB3 (0.42) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7462749 0.77 ITGB3 (0.45) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7457527 0.74 ADORA2A (0.43) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8894399 0.71 ITGB3 (0.43) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8892934 0.70 ITGB3 (0.43) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7466423 0.70 ITGB3 (0.51) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8892999 0.69 ITGB3 (0.41) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7466875 0.69 ITGB3 (0.42) ITGB3ITGA2BPRSS1PRSS2PRSS3

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-0697408-B1 1 substituted-phenyl-oxazolidene-2-one derivatives and their use as adhesion-receptor antagonists MERCK PATENT GMBH (DE) 2002-01-23 EP disclosed
US-5614535-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 US disclosed
EP-0697408-A1 1 substituted-phenyl-oxazolidene-2-one derivatives and their use as adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1996-02-21 EP disclosed