SCHEMBL7239126

SCHEMBL7239126

CCCCS(=O)(=O)NC(Cc1ccc(OCC2CN(CCCC[N+]3(C(=O)OC(C)(C)C)CCCCC3)C(=O)O2)cc1)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ITGB3 P05106 10/20 0.39
ITGA2B P08514 10/20 0.39
ITGAV P06756 1/20 0.39
CHRM2 P08172 1/20 0.39
SLC6A4 P31645 1/20 0.39
YAP1 P46937 1/20 0.31
GRM2 Q14416 1/20 0.30

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
SCHEMBL7235241 0.95 ITGB3 (0.44) MAPK1L3MBTL1ITGB3ITGA2BITGAV
SCHEMBL7230827 0.88 MAPK1 (0.39) MAPK1L3MBTL1ITGB3ITGA2BYAP1
SCHEMBL7228601 0.84 MAPK1 (0.42) MAPK1L3MBTL1ITGB3ITGA2BITGAV
SCHEMBL7235378 0.83 ITGB3 (0.45) MAPK1L3MBTL1ITGB3ITGA2BYAP1
SCHEMBL7228442 0.83 MAPK1 (0.42) MAPK1L3MBTL1ITGB3ITGA2BITGAV
SCHEMBL7238454 0.82 YAP1 (0.41) MAPK1L3MBTL1ITGB3ITGA2BITGAV
SCHEMBL7237602 0.79 ITGB3 (0.47) MAPK1L3MBTL1ITGB3ITGA2BITGAV
SCHEMBL7235737 0.78 ITGB3 (0.45) MAPK1L3MBTL1ITGB3ITGA2BITGAV
SCHEMBL7237692 0.77 ITGB3 (0.47) MAPK1L3MBTL1ITGB3ITGA2BITGAV
SCHEMBL7238041 0.76 ITGB3 (0.46) MAPK1L3MBTL1ITGB3ITGA2BITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602876-B1 Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2003-08-05 US disclosed
US-6204280-B1 OXAZOLIDINONE DERIVATIVE, ANTICOAGULANT MERCK PATENT GESELLSCHAFT MIT BERSCHRANKTER HAFTUNG (DE) 2001-03-20 US disclosed
EP-0710657-B1 Antagonists of adhesion receptors MERCK PATENT GMBH (DE) 1998-08-26 EP disclosed
EP-0710657-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-08 EP disclosed