SCHEMBL7363845

SCHEMBL7363845

COC(=O)CC(CN)c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.61
PDE4B Q07343 9/20 0.61
PDE4D Q08499 8/20 0.61
PDE4C Q08493 7/20 0.61
POLB P06746 1/20 0.49
GAA P10253 1/20 0.48
MAPK14 Q16539 1/20 0.47

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
SCHEMBL7366317 0.91 PDE4A (0.53) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL2988958 0.86 PDE4A (0.63) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL7363752 0.85 GAA (0.59) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL4637255 0.85 PDE4A (0.62) PDE4APDE4BPDE4DPDE4CPOLB
Hydrochloric Acid SCHEMBL4638650 0.85 PDE4A (0.62) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL7442504 0.85 PDE4A (0.57) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL3181116 0.82 PDE4A (0.65) PDE4APDE4BPDE4DPDE4C
SCHEMBL4822203 0.82 PDE4A (0.68) PDE4APDE4BPDE4DPDE4C
SCHEMBL7371994 0.81 PDE4B (0.54) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL8357145 0.81 PDE4A (0.52) 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-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