SCHEMBL12487552

SCHEMBL12487552

O=C(C[C@@H](CC1CCCC1)C(=O)N1N=CC[C@H]1C(=O)Nc1ccccc1)NO

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 15/20 0.63
DPP4 P27487 1/20 0.45
MMP1 P03956 2/20 0.43
FCER2 P06734 2/20 0.43
LTA4H P09960 1/20 0.43

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
SCHEMBL27955616 1.00 PDF (0.63) PDFDPP4MMP1FCER2LTA4H
SCHEMBL27955615 0.91 PDF (0.52) PDFDPP4
SCHEMBL12487488 0.91 PDF (0.52) PDFDPP4
SCHEMBL12486747 0.87 PDF (0.53) PDF
SCHEMBL12487693 0.87 PDF (0.49) PDFDPP4MMP1FCER2
SCHEMBL12487683 0.86 PDF (0.49) PDFMMP1FCER2
SCHEMBL12487746 0.84 PDF (0.46) PDFDPP4
SCHEMBL12487092 0.82 PDF (0.48) PDF
SCHEMBL12486976 0.81 PDF (0.44) PDFMMP1LTA4H
SCHEMBL12487810 0.81 PDF (0.44) PDFMMP1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2684039-A2 PEPTIDE DEFORMYLASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-01-15 EP claimed
WO-2012122450-A2 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-09-13 WO claimed
US-8901119-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2014-12-02 US disclosed
EP-2684039-A2 PEPTIDE DEFORMYLASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-01-15 EP disclosed
WO-2012122450-A2 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-09-13 WO disclosed
WO-2012122450-A2 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-09-13 WO disclosed