SCHEMBL8601803

SCHEMBL8601803

COc1ccc(C2(CC#N)C(=O)c3ccc(OCc4ccccc4)cc3C2=O)cc1OC1CCCC1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.74
PDE4B Q07343 19/20 0.74
PDE4C Q08493 19/20 0.74
PDE4D Q08499 19/20 0.74

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
SCHEMBL8601207 0.85 PDE4A (0.80) PDE4APDE4BPDE4CPDE4D
SCHEMBL8568222 0.85 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL8603063 0.81 PDE4A (0.73) PDE4APDE4BPDE4CPDE4D
SCHEMBL8570800 0.81 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL8568045 0.79 PDE4A (0.74) PDE4APDE4BPDE4CPDE4D
SCHEMBL8569911 0.78 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL8572010 0.78 PDE4A (0.91) PDE4APDE4BPDE4CPDE4D
SCHEMBL8571959 0.75 PDE4A (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL8601810 0.75 PDE4A (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL8573978 0.75 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D

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
WO-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO claimed
WO-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed