SCHEMBL2783856

SCHEMBL2783856

CCCCC[C@H](CN(O)C=O)C(=O)N(N)C1CCN(C(=O)c2cc3cccc(OC)c3o2)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 10/20 0.60
MMP12 P39900 4/20 0.60
DPP4 P27487 1/20 0.43
DPP9 Q86TI2 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
CHRNA7 P36544 1/20 0.39
KMT2A Q03164 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
SCHEMBL2783859 1.00 BMP1 (0.60) BMP1MMP12DPP4DPP9ALDH1A1
SCHEMBL1596230 0.85 BMP1 (0.65) BMP1MMP12DPP4DPP9ALDH1A1
SCHEMBL4583761 0.85 BMP1 (0.65) BMP1MMP12DPP4DPP9ALDH1A1
SCHEMBL1596233 0.85 BMP1 (0.65) BMP1MMP12DPP4DPP9ALDH1A1
SCHEMBL4958420 0.75 TSHR (0.43) HPGDKMT2A
SCHEMBL4592397 0.75 TSHR (0.43) HPGDKMT2A
SCHEMBL1596984 0.72 ALDH1A1 (0.47) BMP1MMP12ALDH1A1HPGD
SCHEMBL1596978 0.72 ALDH1A1 (0.47) BMP1MMP12ALDH1A1HPGD
SCHEMBL1596987 0.72 ALDH1A1 (0.47) BMP1MMP12ALDH1A1HPGD
SCHEMBL6023714 0.69 BMP1 (0.62) BMP1MMP12ALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4563798-B2 2010-10-13 JP claimed
EP-1509218-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-03-26 EP claimed
EP-1509218-A1 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2005-03-02 EP claimed
WO-2003101442-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-11 WO claimed
EP-1509218-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-03-26 EP disclosed
EP-1827449-A4 THE USE OF NOVEL ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-01-23 EP disclosed
EP-1827449-A2 THE USE OF NOVEL ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-05 EP disclosed
WO-2006055663-A2 THE USE OF NOVEL ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-26 WO disclosed
EP-1509218-A1 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2005-03-02 EP disclosed
WO-2003101442-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-11 WO disclosed