SCHEMBL8548513

SCHEMBL8548513

CCCCS(=O)(=O)C(N)(Cc1ccc(OCC2CN(CCCC(C(=N)N)(C(=O)OC(C)(C)C)N3CCNCC3)C(=O)O2)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRM2 Q14416 1/20 0.31
MMP1 P03956 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 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
SCHEMBL8544755 0.97 MAPK1 (0.40) MAPK1L3MBTL1GRM2MMP1MMP9
SCHEMBL8548492 0.94 MAPK1 (0.39) MAPK1L3MBTL1MMP1MMP9MMP13
SCHEMBL8544374 0.94 MAPK1 (0.41) MAPK1L3MBTL1GRM2MMP1MMP9
SCHEMBL8548714 0.94 MAPK1 (0.37) MAPK1L3MBTL1GRM2ITGB3ITGA2B
SCHEMBL8546661 0.92 MAPK1 (0.38) MAPK1L3MBTL1MMP1MMP9MMP13
SCHEMBL8548586 0.89 MAPK1 (0.39) MAPK1L3MBTL1MMP1MMP9MMP13
SCHEMBL8541097 0.88 MAPK1 (0.35) MAPK1L3MBTL1MMP1MMP9MMP13
SCHEMBL7237995 0.88 MAPK1 (0.40) MAPK1L3MBTL1GRM2
SCHEMBL8546462 0.86 MAPK1 (0.40) MAPK1L3MBTL1GRM2ITGB3ITGA2B
SCHEMBL7228013 0.85 MAPK1 (0.38) 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 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