SCHEMBL12487488

SCHEMBL12487488

O=C(O)C[C@@H](CC1CCCC1)C(=O)N1N=CCC1C(=O)Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 7/20 0.52
DPP4 P27487 4/20 0.47
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43
F2 P00734 1/20 0.42
EPHX2 P34913 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.38
EPHX1 P07099 1/20 0.38
CCKBR P32239 1/20 0.38
FFAR2 O15552 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
SCHEMBL27955615 1.00 PDF (0.52) PDFDPP4MMP2MMP9MMP12
SCHEMBL12487552 0.91 PDF (0.63) PDFDPP4
SCHEMBL27955616 0.91 PDF (0.63) PDFDPP4
SCHEMBL27955613 0.88 PDF (0.43) PDFMMP2MMP9MMP12F2
SCHEMBL12487979 0.88 PDF (0.43) PDFMMP2MMP9MMP12F2
SCHEMBL12487746 0.87 PDF (0.46) PDFDPP4F2HPGDCCKBR
SCHEMBL27955608 0.87 F2 (0.42) PDFDPP4MMP2MMP9MMP12
SCHEMBL12487608 0.87 F2 (0.42) PDFDPP4MMP2MMP9MMP12
SCHEMBL12487693 0.86 PDF (0.49) PDFDPP4F2EPHX2
SCHEMBL12487532 0.82 F2 (0.40) PDFMMP2MMP9MMP12F2

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
CN-103827665-A Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2014-05-28 CN 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