SCHEMBL5560144

SCHEMBL5560144

CCOc1ccc(C2=NN(c3ccc(C(=O)O)cc3)C(=O)C3CC=CCC23)cc1OCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 1.00
PDE4A P27815 18/20 1.00
PDE4C Q08493 18/20 1.00
PDE4D Q08499 18/20 1.00
PDE3B Q13370 4/20 0.67
PDE3A Q14432 4/20 0.67
DNMT3A Q9Y6K1 1/20 0.53

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
SCHEMBL5560151 1.00 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6866218 0.87 PDE4B (0.79) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6866213 0.87 PDE4B (0.79) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL5560160 0.86 PDE4D (0.75) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6029275 0.86 PDE4B (0.78) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL5554956 0.86 PDE4B (0.75) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL5554960 0.86 PDE4B (0.75) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL5561219 0.86 PDE4A (0.75) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL5561224 0.86 PDE4A (0.75) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6030602 0.86 PDE4A (0.75) PDE4BPDE4APDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228046-B1 PHTHALAZINONE DERIVATIVES AS PDE 4 INHIBITORS NYCOMED GMBH (DE) 2007-09-26 EP disclosed
US-6756371-B1 MORPHOLINO OR THIOMORPHOLINO DERIVATIVES; RESPIRATORY SYSTEM DISORDERS ALTANA PHARMA AG (DE) 2004-06-29 US disclosed