SCHEMBL8569821

SCHEMBL8569821

COc1ccc(C2(Cc3cc[n+]([O-])cc3)CCN(C(=O)OC(C)(C)C)C2=O)cc1OC1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 1.00
PDE4B Q07343 20/20 1.00
PDE4C Q08493 20/20 1.00
PDE4D Q08499 20/20 1.00

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
SCHEMBL8570326 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL8569671 0.89 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL8571835 0.85 PDE4B (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL8571411 0.80 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL8574228 0.79 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL8576154 0.79 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL8570046 0.78 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL8569960 0.77 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL8571602 0.77 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL8599254 0.72 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