SCHEMBL4637301

SCHEMBL4637301

COc1ccc(CC(C(=O)O)C2NC(=O)c3ccccc32)cc1OC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.50
PDE4B Q07343 13/20 0.49
PDE4D Q08499 11/20 0.49
PDE4C Q08493 10/20 0.49
TPH1 P17752 1/20 0.42

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
SCHEMBL4637361 0.81 PDE4A (0.52) PDE4APDE4BPDE4DPDE4C
SCHEMBL6567669 0.81 PDE4A (0.64) PDE4APDE4BPDE4DPDE4C
SCHEMBL3693500 0.77 PDE4A (0.56) PDE4APDE4BPDE4DPDE4C
SCHEMBL7420229 0.74 LDHA (0.60) PDE4APDE4BPDE4DPDE4CTPH1
SCHEMBL8769667 0.71 PDE4A (0.64) PDE4APDE4BPDE4DPDE4C
SCHEMBL7332241 0.71 PDE4A (0.57) PDE4APDE4BPDE4DPDE4C
SCHEMBL7335293 0.71 PDE4A (0.58) PDE4APDE4BPDE4DPDE4C
SCHEMBL7341287 0.70 PDE4A (0.62) PDE4APDE4BPDE4DPDE4C
SCHEMBL2371289 0.70 PDE4B (0.60) PDE4APDE4BPDE4DPDE4C
SCHEMBL7420826 0.70 PDE4A (0.57) PDE4APDE4BPDE4DPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1468991-B1 Imides as PDE III, PDE IV and TNF inhibitors CELGENE CORP (US) 2008-02-20 EP claimed
EP-1468991-B1 Imides as PDE III, PDE IV and TNF inhibitors CELGENE CORP (US) 2008-02-20 EP disclosed
EP-1468991-A1 Imides as PDE III, PDE IV and TNF inhibitors CELGENE CORPORATION (US) 2004-10-20 EP disclosed
EP-0874819-B1 IMIDES AS PDE III, PDE IV AND TNF INHIBITORS CELGENE CORP (US) 2004-05-26 EP disclosed
EP-0874819-A1 IMIDES AS PDE III, PDE IV AND TNF INHIBITORS CELGENE CORPORATION (US) 1998-11-04 EP disclosed
US-5728844-A INHIBITORS OF TUMOR NECROSIS AND PHOSPHODIESTERASE CELGENE CORPORATION (US) 1998-03-17 US disclosed
WO-1997023457-A1 IMIDES AS PDE III, PDE IV AND TNF INHIBITORS CELGENE CORPORATION (US) 1997-07-03 WO disclosed