SCHEMBL12487555

SCHEMBL12487555

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

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CFD P00746 3/20 0.37
PDF Q9HBH1 10/20 0.36
F2 P00734 1/20 0.34
USP30 Q70CQ3 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL12487532 0.89 F2 (0.40) CFDPDFF2
SCHEMBL12487092 0.87 PDF (0.48) CFDPDF
SCHEMBL27955604 0.86 PDF (0.39) PDF
SCHEMBL12487746 0.84 PDF (0.46) PDFF2
SCHEMBL12487795 0.83 PDF (0.37) PDFF2
SCHEMBL12487738 0.83 CFD (0.38) CFDPDFF2
SCHEMBL12487915 0.82 PDF (0.55) PDFF2
SCHEMBL12486934 0.78 RIPK1 (0.34) PDFF2
SCHEMBL12487820 0.76 RIPK1 (0.33) F2
SCHEMBL12487979 0.73 PDF (0.43) PDFF2

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