SCHEMBL4873479

SCHEMBL4873479

C[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccc(NC(=O)C(CCCNC(=O)OC(C)(C)C)NC(=O)O)cc2)cc1)C(=O)NO

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PTPN11 Q06124 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
SIRT5 Q9NXA8 1/20 0.38

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
SCHEMBL4232541 1.00 MMP1 (0.41) MMP1MMP3MMP9CA1CA2
SCHEMBL1105590 0.95 CA1 (0.41) MMP1MMP3MMP9CA1CA2
SCHEMBL12055984 0.95 CA1 (0.41) MMP1MMP3MMP9CA1CA2
SCHEMBL1109105 0.88 HDAC4 (0.45) MMP1MMP3MMP9CA1CA2
SCHEMBL12064336 0.88 HDAC4 (0.45) MMP1MMP3MMP9CA1CA2
SCHEMBL5934598 0.87 BRD4 (0.36) MMP1MMP3MMP9PTPN11
SCHEMBL1094800 0.86 PTPN11 (0.38) MMP1MMP3MMP9PTPN11KDM4E
SCHEMBL1094798 0.86 PTPN11 (0.38) MMP1MMP3MMP9PTPN11KDM4E
SCHEMBL2875736 0.82 CA2 (0.49) MMP1MMP3MMP9CA1CA2
SCHEMBL2875732 0.82 CA2 (0.49) MMP1MMP3MMP9CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed