SCHEMBL6231315

SCHEMBL6231315

CCOC(=O)C(C(=O)OCC)C(C(=O)c1ccccc1)c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.56
PDE4B Q07343 8/20 0.52
PDE4D Q08499 8/20 0.52
PDE4C Q08493 7/20 0.52
EPHX2 P34913 1/20 0.48

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
SCHEMBL8572806 0.85 PDE4A (0.58) PDE4APDE4BPDE4DPDE4C
SCHEMBL7425104 0.81 PDE4A (0.60) PDE4APDE4BPDE4DPDE4C
SCHEMBL6233343 0.80 PDE4A (0.63) PDE4APDE4BPDE4DPDE4C
SCHEMBL6229209 0.79 PDE4B (0.50) PDE4APDE4BPDE4DPDE4C
SCHEMBL6230325 0.79 PDE4A (0.49) PDE4APDE4BPDE4DPDE4C
SCHEMBL8925164 0.78 PDE4A (0.60) PDE4APDE4BPDE4DPDE4C
SCHEMBL7357352 0.78 PDE4B (0.53) PDE4APDE4BPDE4DPDE4C
SCHEMBL6889943 0.76 PDE4A (0.60) PDE4APDE4BPDE4DPDE4C
SCHEMBL9283831 0.76 PDE4B (0.53) PDE4APDE4BPDE4DPDE4C
SCHEMBL4822025 0.75 PDE4A (0.79) 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-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