SCHEMBL8324871

SCHEMBL8324871

COc1ccc(Cc2nc3cccc(OC(C)=O)c3o2)cc1OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.46
PDE4B Q07343 7/20 0.46
PDE4D Q08499 7/20 0.46
PDE4C Q08493 6/20 0.46
SSTR5 P35346 1/20 0.44
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL7734324 0.85 SSTR5 (0.44) PDE4APDE4BPDE4DPDE4CSSTR5
SCHEMBL6974761 0.84 PDE4A (0.47) PDE4APDE4BPDE4DPDE4CSSTR5
SCHEMBL7724896 0.84 PDE4A (0.47) PDE4APDE4BPDE4DPDE4CSSTR5
SCHEMBL8354087 0.83 PDE4A (0.47) PDE4APDE4BPDE4DPDE4CSSTR5
Hydrochloric Acid SCHEMBL7724907 0.83 PDE4A (0.46) PDE4APDE4BPDE4DPDE4CSSTR5
SCHEMBL8325337 0.83 PDE4A (0.48) PDE4APDE4BPDE4DPDE4CSSTR5
SCHEMBL13350324 0.82 PDE4A (0.46) PDE4APDE4BPDE4DPDE4CSSTR5
SCHEMBL7735162 0.82 PDE5A (0.47) PDE4APDE4BPDE4DPDE4CSSTR5
SCHEMBL7734051 0.80 PDE4D (0.49) PDE4APDE4BPDE4DPDE4C
Hydrochloric Acid SCHEMBL7734781 0.79 PDE4D (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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