SCHEMBL7417873

SCHEMBL7417873

COc1ccc(CNC(=O)C(N)=O)cc1OC1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.62
PDE4D Q08499 8/20 0.62
PDE4A P27815 7/20 0.62
PDE4C Q08493 7/20 0.62
RECQL P46063 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.52
EPHX2 P34913 2/20 0.52
TPH1 P17752 1/20 0.51
MAPK14 Q16539 1/20 0.50

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
SCHEMBL7088472 0.90 PDE4B (0.65) PDE4BPDE4DPDE4APDE4CRECQL
SCHEMBL6816260 0.88 KMT2A (0.58) PDE4BPDE4DPDE4APDE4CRECQL
SCHEMBL7359769 0.86 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CRECQL
SCHEMBL7026447 0.85 PDE4B (0.58) PDE4BPDE4DPDE4APDE4CRECQL
SCHEMBL7477238 0.83 RECQL (0.62) PDE4BPDE4DPDE4APDE4CRECQL
SCHEMBL7362499 0.82 ALDH1A1 (0.61) PDE4BPDE4DPDE4APDE4CRECQL
SCHEMBL7091205 0.81 PDE4B (0.57) PDE4BPDE4DPDE4APDE4CRECQL
SCHEMBL9274706 0.81 PDE4B (0.51) PDE4BPDE4DPDE4APDE4CRECQL
SCHEMBL9272637 0.81 PDE4B (0.65) PDE4BPDE4DPDE4APDE4CEPHX2
SCHEMBL8571660 0.81 KMT2A (0.61) PDE4BPDE4DPDE4APDE4CRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993015044-A1 N-BENZYLOXAMIC ACID, OXAMATE, AND OXAMIDE DERIVATIVES AND THEIR USE AS TNF AND PDE IV INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-08-05 WO claimed
EP-2193808-A1 Synergistic combination Nycomed GmbH (DE) 2010-06-09 EP disclosed
EP-1849468-A2 Pharmaceutical composition of a pde4 or a pde3/4 inhibitor and a histamine receptor antagonist Nycomed GmbH (DE) 2007-10-31 EP disclosed
WO-2004047817-A1 PDE4 AND PDE3/4 INHIBITORS FOR USE IN THE TREATMENT OF CACHEXIA ALTANA PHARMA AG (DE) 2004-06-10 WO disclosed
WO-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed
WO-1993015044-A1 N-BENZYLOXAMIC ACID, OXAMATE, AND OXAMIDE DERIVATIVES AND THEIR USE AS TNF AND PDE IV INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-08-05 WO disclosed