SCHEMBL7340272

SCHEMBL7340272

COc1ccc(C(=O)CC(C)C)cc1OC1CCCC1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.78
PDE4B Q07343 13/20 0.78
PDE4A P27815 8/20 0.78
PDE4C Q08493 8/20 0.78
MAPK14 Q16539 1/20 0.58

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
SCHEMBL6585967 0.85 PDE4B (0.65) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL5565347 0.84 PDE4B (0.64) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL131830 0.84 PDE4B (0.64) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL11045658 0.83 PDE4D (0.62) PDE4DPDE4BPDE4APDE4C
SCHEMBL29555877 0.83 PDE4D (0.62) PDE4DPDE4BPDE4APDE4C
SCHEMBL7329999 0.83 PDE4D (0.80) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL4709683 0.83 PDE4B (0.65) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL7333344 0.82 PDE4D (0.55) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL27472680 0.82 PDE4D (0.68) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL5349155 0.82 PDE4B (0.67) PDE4DPDE4BPDE4APDE4CMAPK14

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0470805-B1 Oxime-carbamates and oxime-carbonates as bronchodilators and anti-inflammatory agents AMERICAN HOME PROD (US) 1994-09-07 EP claimed
US-5124455-A Enzyme inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1992-06-23 US claimed
EP-0470805-A1 Oxime-carbamates and oxime-carbonates as bronchodilators and anti-inflammatory agents AMERICAN HOME PRODUCTS CORPORATION (US) 1992-02-12 EP claimed
EP-0470805-B1 Oxime-carbamates and oxime-carbonates as bronchodilators and anti-inflammatory agents AMERICAN HOME PROD (US) 1994-09-07 EP disclosed
US-5124455-A Enzyme inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1992-06-23 US disclosed
EP-0470805-A1 Oxime-carbamates and oxime-carbonates as bronchodilators and anti-inflammatory agents AMERICAN HOME PRODUCTS CORPORATION (US) 1992-02-12 EP disclosed