SCHEMBL8547878

SCHEMBL8547878

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MMP1 P03956 2/20 0.37
MMP9 P14780 2/20 0.37
MMP13 P45452 2/20 0.37
GRM2 Q14416 4/20 0.33
ADAM33 Q9BZ11 2/20 0.32
CA2 P00918 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
SCHEMBL8547641 0.97 MAPK1 (0.44) MAPK1L3MBTL1MMP1MMP9MMP13
SCHEMBL8541384 0.94 MAPK1 (0.40) MAPK1L3MBTL1MMP1MMP9MMP13
SCHEMBL8543037 0.93 MAPK1 (0.41) MAPK1L3MBTL1MMP1MMP9MMP13
SCHEMBL8543952 0.93 MAPK1 (0.40) MAPK1L3MBTL1MMP1MMP9MMP13
SCHEMBL8544269 0.90 MAPK1 (0.41) MAPK1L3MBTL1MMP1MMP9MMP13
SCHEMBL8548567 0.90 MAPK1 (0.43) MAPK1L3MBTL1MMP1MMP9MMP13
SCHEMBL8588573 0.87 MAPK1 (0.39) MAPK1L3MBTL1MMP1MMP9MMP13
SCHEMBL8543148 0.87 MAPK1 (0.39) MAPK1L3MBTL1MMP1MMP9MMP13
SCHEMBL7238479 0.85 MAPK1 (0.40) MAPK1L3MBTL1GRM2ADAM33CA2
SCHEMBL8544359 0.84 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