SCHEMBL7228796

SCHEMBL7228796

CC(C)(C)OC(=O)C(CCCN1CC(COc2ccc(CC(N)(C(=O)O)C(=O)OC(C)(C)C)cc2)OC1=O)N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRM2 Q14416 6/20 0.33
ITGB3 P05106 1/20 0.31
ITGA2B P08514 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
SCHEMBL7231443 0.96 MAPK1 (0.39) MAPK1L3MBTL1GRM2ITGB3ITGA2B
SCHEMBL7229034 0.94 MAPK1 (0.39) MAPK1L3MBTL1GRM2
SCHEMBL7235381 0.93 MAPK1 (0.42) MAPK1L3MBTL1GRM2
SCHEMBL7229938 0.92 MAPK1 (0.35) MAPK1L3MBTL1GRM2
SCHEMBL7237705 0.89 MAPK1 (0.36) MAPK1L3MBTL1GRM2
SCHEMBL7238479 0.88 MAPK1 (0.40) MAPK1L3MBTL1GRM2
SCHEMBL7230831 0.86 MAPK1 (0.40) MAPK1L3MBTL1GRM2
SCHEMBL8548567 0.86 MAPK1 (0.43) MAPK1L3MBTL1GRM2ITGB3ITGA2B
SCHEMBL7228368 0.86 MAPK1 (0.33) MAPK1L3MBTL1GRM2
SCHEMBL7229414 0.85 MAPK1 (0.36) MAPK1L3MBTL1GRM2

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