SCHEMBL7367793

SCHEMBL7367793

COc1ccc(C2CC(=O)N(Cc3ccc(C(=O)O)cc3)C2)cc1OC1CCCC1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.81
PDE4B Q07343 14/20 0.78
PDE4C Q08493 7/20 0.78
PDE4D Q08499 7/20 0.78

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
SCHEMBL7366062 0.92 PDE4B (0.77) PDE4APDE4BPDE4CPDE4D
SCHEMBL7366137 0.90 PDE4B (0.77) PDE4APDE4BPDE4CPDE4D
SCHEMBL7362857 0.90 PDE4B (0.74) PDE4APDE4BPDE4CPDE4D
SCHEMBL7366141 0.90 PDE4B (0.80) PDE4APDE4BPDE4CPDE4D
SCHEMBL7365946 0.90 PDE4B (0.82) PDE4APDE4BPDE4CPDE4D
SCHEMBL5760778 0.89 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL3542641 0.89 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL3541761 0.89 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL3547495 0.89 PDE4A (0.84) PDE4APDE4BPDE4CPDE4D
SCHEMBL3547968 0.89 PDE4A (0.84) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0584208-A4 1994-03-23 EP disclosed
EP-0584208-A1 PYRROLIDINONES SMITHKLINE BEECHAM CORPORATION (US) 1994-03-02 EP disclosed
WO-1992019594-A1 PYRROLIDINONES SMITHKLINE BEECHAM CORPORATION (US) 1992-11-12 WO disclosed