SCHEMBL4637671

SCHEMBL4637671

COc1ccc(C(N)CC(=O)O)cc1OC1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.61
PDE4D Q08499 10/20 0.61
PDE4B Q07343 9/20 0.61
PDE4C Q08493 9/20 0.61
HIF1A Q16665 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
SCHEMBL2995451 0.99 PDE4A (0.62) PDE4APDE4DPDE4BPDE4C
SCHEMBL5905440 0.95 PDE4A (0.56) PDE4APDE4DPDE4BPDE4CHIF1A
SCHEMBL2985100 0.94 PDE4A (0.57) PDE4APDE4DPDE4BPDE4CHIF1A
SCHEMBL4637255 0.89 PDE4A (0.62) PDE4APDE4DPDE4BPDE4CHIF1A
SCHEMBL2988958 0.88 PDE4A (0.63) PDE4APDE4DPDE4BPDE4C
SCHEMBL4637687 0.87 PDE4A (0.50) PDE4APDE4DPDE4BPDE4C
Hydrochloric Acid SCHEMBL4638650 0.87 PDE4A (0.62) PDE4APDE4DPDE4BPDE4C
SCHEMBL3181116 0.86 PDE4A (0.65) PDE4APDE4DPDE4BPDE4C
SCHEMBL5905259 0.86 PDE4A (0.47) PDE4APDE4DPDE4BPDE4CHIF1A
SCHEMBL5905200 0.85 PDE4A (0.57) PDE4APDE4DPDE4BPDE4CHIF1A

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
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