SCHEMBL3901599

SCHEMBL3901599

CCCCCC([C]=O)CN(O)C=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
TRPA1 O75762 1/20 0.40
DDAH1 O94760 1/20 0.40
GAPDH P04406 1/20 0.40
BMP1 P13497 4/20 0.37
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33

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
SCHEMBL5188809 0.95 PDF (0.35)
SCHEMBL3900170 0.87
SCHEMBL3902708 0.81
SCHEMBL3900860 0.81
SCHEMBL3901111 0.80 PDF (0.31)
SCHEMBL3900168 0.79
SCHEMBL3902711 0.78 CA2 (0.50) BMP1
SCHEMBL3900866 0.78 CA2 (0.50) BMP1
SCHEMBL4318257 0.76 GRIK1 (0.49) MAPTBMP1
SCHEMBL3901601 0.75 TSHR (0.48) MAPTTRPA1DDAH1GAPDHBMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615629-B1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-03-18 EP claimed
EP-1615629-B1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-03-18 EP disclosed
EP-1615629-A4 PEPTIDE DEFORMYLASE INHIBITORS CHRISTENSEN SIEGFRIED B IV (US) 2007-02-28 EP disclosed
EP-1615629-A1 PEPTIDE DEFORMYLASE INHIBITORS Christensen, Siegfried B. IV (US) 2006-01-18 EP disclosed
WO-2004098584-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-18 WO disclosed