SCHEMBL4631636

SCHEMBL4631636

C=CC(=O)Oc1ccc(OCCOC)cc1OCC1CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.43
PDE4A P27815 6/20 0.43
PDE4C Q08493 6/20 0.43
PDE4D Q08499 6/20 0.43
PARP15 Q460N3 2/20 0.41
PARP10 Q53GL7 2/20 0.41
EGFR P00533 2/20 0.41
INPPL1 O15357 1/20 0.36
THRB P10828 1/20 0.36
PARP2 Q9UGN5 1/20 0.36

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
SCHEMBL4632439 0.82 PDE4D (0.42) PDE4BPDE4APDE4CPDE4D
SCHEMBL4601033 0.79 EGFR (0.44) PDE4BPDE4APDE4CPDE4DEGFR
SCHEMBL816455 0.76 PARP15 (0.50) PARP15PARP10THRBPARP2
SCHEMBL12796997 0.76 THRB (0.54) EGFRTHRB
SCHEMBL3216053 0.75 HDAC8 (0.47) PDE4BPDE4APDE4CPDE4DPARP15
SCHEMBL3216064 0.75 HDAC8 (0.47) PDE4BPDE4APDE4CPDE4DPARP15
SCHEMBL4600070 0.74 EGFR (0.42) PDE4BPDE4APDE4CPDE4DPARP15
SCHEMBL4602988 0.74 FFAR1 (0.53) PDE4BPDE4APDE4CPDE4DPARP15
SCHEMBL19564418 0.73 THRB (0.46) EGFRTHRB
SCHEMBL4602334 0.72 EGFR (0.37) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO disclosed