SCHEMBL6023841

SCHEMBL6023841

CCCCC[C@H](CN(O)C=O)C(=O)N(N)C(=O)c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.45
PDE4B Q07343 12/20 0.45
PDE4A P27815 10/20 0.45
PDE4C Q08493 10/20 0.45
MAPK14 Q16539 1/20 0.43
BMP1 P13497 1/20 0.40

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
SCHEMBL6024770 0.83 BMP1 (0.44) BMP1
SCHEMBL6024495 0.83 PDE4D (0.49) PDE4DPDE4BPDE4APDE4CBMP1
SCHEMBL6023843 0.74 BMP1 (0.44) BMP1
SCHEMBL6025328 0.74 HPGD (0.42) BMP1
SCHEMBL6023388 0.73 BMP1 (0.44) BMP1
SCHEMBL6586929 0.72 PDE4B (0.60) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL6587335 0.71 PDE4B (0.80) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL6024907 0.71 HDAC3 (0.39) BMP1
SCHEMBL6024803 0.71 OPRM1 (0.37) BMP1
SCHEMBL6024200 0.70 CYP3A4 (0.41) PDE4DPDE4BPDE4APDE4CBMP1

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
EP-1363873-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-01-04 EP disclosed
EP-1363873-A2 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2003-11-26 EP disclosed
WO-2002070541-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITH KLINE BEECHAM CORPORATION (US) 2002-09-12 WO disclosed