SCHEMBL6233638

SCHEMBL6233638

CCC(CC)COc1cc(C2C=NNC(=O)C2)ccc1OC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.50
PDE4B Q07343 11/20 0.50
PDE4C Q08493 11/20 0.50
PDE4D Q08499 11/20 0.50
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
GFER P55789 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
VEGFA P15692 1/20 0.34

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
SCHEMBL6229342 0.89 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL498074 0.85 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6232341 0.84 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6228237 0.82 PDE4B (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL6229565 0.82 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6226932 0.80 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6232762 0.80 PDE4A (0.62) PDE4APDE4BPDE4CPDE4D
SCHEMBL6231023 0.80 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6229490 0.79 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DHIF1A
SCHEMBL498001 0.76 PDE4B (0.60) PDE4APDE4BPDE4CPDE4DALDH1A1

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