SCHEMBL8554187

SCHEMBL8554187

COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)cc1OCCOC(C)C

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 17/20 0.73
PDE4A P27815 3/20 0.51
PDE4B Q07343 2/20 0.51
PDE4C Q08493 2/20 0.51
CYP2B6 P20813 1/20 0.45

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
SCHEMBL6858838 0.85 PDE4D (0.81) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL1026961 0.85 PDE4D (1.00) PDE4DPDE4APDE4BPDE4C
SCHEMBL7356619 0.82 PDE4B (0.76) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7340773 0.81 PDE4D (0.76) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL9279916 0.81 PDE4D (0.76) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL8891595 0.80 PDE4D (0.67) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL8889710 0.80 PDE4D (0.67) PDE4DPDE4APDE4BPDE4C
SCHEMBL6864107 0.80 PDE4D (0.74) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL1027909 0.80 PDE4D (0.74) PDE4DPDE4APDE4BPDE4C
SCHEMBL1434462 0.78 PDE4D (0.81) PDE4DPDE4APDE4BPDE4C

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-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP claimed
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP disclosed