SCHEMBL4959901

SCHEMBL4959901

CCCCC[C@@H](CN(O)C=O)C(=O)NNc1nccc(-c2ccc([S+](C)[O-])cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 7/20 0.41
MMP12 P39900 1/20 0.37

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
SCHEMBL1595732 0.88 BMP1 (0.44) BMP1MMP12
SCHEMBL1595728 0.88 BMP1 (0.44) BMP1MMP12
SCHEMBL1595735 0.88 BMP1 (0.44) BMP1MMP12
SCHEMBL1596039 0.87 BMP1 (0.41) BMP1MMP12
SCHEMBL1596036 0.87 BMP1 (0.41) BMP1MMP12
SCHEMBL1597396 0.87 BMP1 (0.46) BMP1MMP12
SCHEMBL1597399 0.87 BMP1 (0.46) BMP1MMP12
SCHEMBL1597389 0.87 BMP1 (0.46) BMP1MMP12
SCHEMBL1596660 0.84 BMP1 (0.43) BMP1MMP12
SCHEMBL1596300 0.83 ABL1 (0.49) BMP1MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1827449-A4 THE USE OF NOVEL ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-01-23 EP disclosed
EP-1827449-A2 THE USE OF NOVEL ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-05 EP disclosed
WO-2006055663-A2 THE USE OF NOVEL ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-26 WO disclosed