SCHEMBL6228583

SCHEMBL6228583

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

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.57
PDE4D Q08499 8/20 0.57
PDE4B Q07343 7/20 0.57
PDE4C Q08493 7/20 0.57

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
SCHEMBL6231659 0.86 FFAR1 (0.55) PDE4APDE4DPDE4BPDE4C
SCHEMBL497761 0.86 SMN1; SMN2 (0.52) PDE4APDE4DPDE4BPDE4C
SCHEMBL3181116 0.83 PDE4A (0.65) PDE4APDE4DPDE4BPDE4C
SCHEMBL6231350 0.83 PDE4B (0.48) PDE4APDE4DPDE4BPDE4C
SCHEMBL7420235 0.82 PDE4A (0.61) PDE4APDE4DPDE4BPDE4C
SCHEMBL2995451 0.81 PDE4A (0.62) PDE4APDE4DPDE4BPDE4C
SCHEMBL6885590 0.80 PDE4A (0.71) PDE4APDE4DPDE4BPDE4C
SCHEMBL4637671 0.80 PDE4A (0.61) PDE4APDE4DPDE4BPDE4C
SCHEMBL6229209 0.80 PDE4B (0.50) PDE4APDE4DPDE4BPDE4C
SCHEMBL6227557 0.79 PDE4B (0.49) PDE4APDE4DPDE4BPDE4C

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