SCHEMBL7501628

SCHEMBL7501628

COc1ccc(-c2ccc(C(=O)O)cc2)cc1OC1CCCC1.[NaH]

nearest known ligand 0.97

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.97
PDE4B Q07343 14/20 0.97
PDE4D Q08499 14/20 0.97
PDE4C Q08493 13/20 0.97
MAPK14 Q16539 1/20 0.56
POLB P06746 1/20 0.55

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
SCHEMBL7444846 0.99 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CMAPK14
SCHEMBL7440108 0.88 PDE4B (1.00) PDE4APDE4BPDE4DPDE4CMAPK14
SCHEMBL8885266 0.88 PDE4B (0.81) PDE4APDE4BPDE4DPDE4CMAPK14
SCHEMBL1028427 0.88 PDE4B (0.80) PDE4APDE4BPDE4DPDE4CMAPK14
SCHEMBL30009845 0.88 PDE4B (0.80) PDE4APDE4BPDE4DPDE4CMAPK14
SCHEMBL7451207 0.87 PDE4A (0.79) PDE4APDE4BPDE4DPDE4C
SCHEMBL7406024 0.87 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL8461881 0.87 PDE4A (0.79) PDE4APDE4BPDE4DPDE4CMAPK14
SCHEMBL9005494 0.86 PDE4D (0.78) PDE4APDE4BPDE4DPDE4CMAPK14
Hydrochloric Acid SCHEMBL6586041 0.86 PDE4B (0.78) PDE4APDE4BPDE4DPDE4CMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745063-B1 SUBSTITUTED BIPHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS AMERICAN HOME PROD (US) 1999-03-24 EP disclosed
US-5691376-A ANTIHISTAMINE, ANTIALLERGENS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-11-25 US disclosed
US-5650444-A BRONCHODILATOR AGENTS, ANTIALLERGENS AND ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-07-22 US disclosed
EP-0745063-A1 SUBSTITUTED BIPHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-12-04 EP disclosed
WO-1995022520-A1 SUBSTITUTED BIPHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1995-08-24 WO disclosed