SCHEMBL12487532

SCHEMBL12487532

CCc1cccc(NC(=O)C2CC=NN2C(=O)[C@@H](CC(=O)O)CC2CCCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.40
CFD P00746 3/20 0.39
PDF Q9HBH1 10/20 0.39
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
FFAR2 O15552 1/20 0.35

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
SCHEMBL12487092 0.92 PDF (0.48) CFDPDF
SCHEMBL12487555 0.89 CFD (0.37) F2CFDPDF
SCHEMBL12487738 0.87 CFD (0.38) F2CFDPDF
SCHEMBL27955613 0.84 PDF (0.43) F2PDFMMP2MMP9MMP12
SCHEMBL12487979 0.84 PDF (0.43) F2PDFMMP2MMP9MMP12
SCHEMBL27955615 0.82 PDF (0.52) F2PDFMMP2MMP9MMP12
SCHEMBL12487488 0.82 PDF (0.52) F2PDFMMP2MMP9MMP12
SCHEMBL12487608 0.80 F2 (0.42) F2PDFMMP2MMP9MMP12
SCHEMBL27955608 0.80 F2 (0.42) F2PDFMMP2MMP9MMP12
SCHEMBL12487495 0.79 PDF (0.60) F2PDF

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-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