SCHEMBL8548586

SCHEMBL8548586

CCCCS(=O)(=O)C(N)(Cc1ccc(OCC2CN(CCCC(C(=N)N)(C(=O)OC(C)(C)C)N3CCCCC3)C(=O)O2)cc1)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP1 P03956 2/20 0.36
MMP9 P14780 2/20 0.36
MMP13 P45452 2/20 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
SCHEMBL8548492 0.94 MAPK1 (0.39) MAPK1L3MBTL1MMP1MMP9MMP13
SCHEMBL8544374 0.94 MAPK1 (0.41) MAPK1L3MBTL1MMP1MMP9MMP13
SCHEMBL8546661 0.92 MAPK1 (0.38) MAPK1L3MBTL1MMP1MMP9MMP13
SCHEMBL8548513 0.89 MAPK1 (0.41) MAPK1L3MBTL1MMP1MMP9MMP13
SCHEMBL8541097 0.88 MAPK1 (0.35) MAPK1L3MBTL1MMP1MMP9MMP13
SCHEMBL7229559 0.88 MAPK1 (0.38) MAPK1L3MBTL1
SCHEMBL8544755 0.86 MAPK1 (0.40) MAPK1L3MBTL1MMP1MMP9MMP13
SCHEMBL7227736 0.85 MAPK1 (0.41) MAPK1L3MBTL1
SCHEMBL8544269 0.84 MAPK1 (0.41) MAPK1L3MBTL1MMP1MMP9MMP13
SCHEMBL8543952 0.83 MAPK1 (0.40) MAPK1L3MBTL1MMP1MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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