SCHEMBL6231663

SCHEMBL6231663

CCOC(=O)C(C(=O)OCC)C(c1ccc(OC)c(OCC2CC2)c1)C(OCC)OCC

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.50
PDE4A P27815 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41

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
SCHEMBL498303 0.86 CA12 (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL6227434 0.84 SMN1; SMN2 (0.45) PDE4BPDE4APDE4CPDE4D
SCHEMBL6229711 0.84 PDE4A (0.39) PDE4BPDE4APDE4CPDE4D
SCHEMBL6228242 0.84 PDE4B (0.43) PDE4BPDE4APDE4CPDE4D
SCHEMBL6229209 0.83 PDE4B (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL6229002 0.83 PDE4B (0.39) PDE4BPDE4APDE4CPDE4D
SCHEMBL6233008 0.82 PDE4A (0.37) PDE4BPDE4APDE4CPDE4D
SCHEMBL6231820 0.81 SMPD1 (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL6230142 0.80 PDE4B (0.39) PDE4BPDE4APDE4CPDE4D
SCHEMBL6231350 0.80 PDE4B (0.48) PDE4BPDE4APDE4CPDE4D

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-0933366-B1 5-PHENYL-3-PYRIDAZINONE DERIVATIVES AND DRUG COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2005-04-06 EP disclosed
US-6235739-B1 ANTIINFLAMMATORY AGENTS; ANTIHISTAMINES; SKIN DISORDERS NIKKEN CHEMICALS CO., LTD. (JP) 2001-05-22 US disclosed
EP-0933366-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVES AND DRUG COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-08-04 EP disclosed