SCHEMBL4640423

SCHEMBL4640423

COc1ccccc1CC(=O)Cc1coc(-c2ccc(OC)c(OCC3CC3)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.43
PDE4B Q07343 6/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
FPR2 P25090 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPY2R P49146 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4639480 0.95 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL4639868 0.93 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL4640557 0.93 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL4639456 0.93 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL4639471 0.90 PDE4B (0.40) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL4639383 0.85 PDE4D (0.42) PDE4APDE4BPDE4CPDE4D
SCHEMBL4640577 0.84 KDM4E (0.39) MAPTLMNATHRBKDM4EMEN1
SCHEMBL4639690 0.83 MAPT (0.43) MAPTLMNAKDM4EMEN1USP2
SCHEMBL4639629 0.83 PARP1 (0.44) PDE4BMAPTLMNATHRBKDM4E
SCHEMBL4639422 0.82 SMN1; SMN2 (0.42) FPR2MAPTLMNAKDM4EUSP2

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-1954684-A2 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION Otsuka Pharmaceutical Co., Ltd. (JP) 2008-08-13 EP disclosed
WO-2007058338-A9 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMA CO LTD (JP) 2007-11-01 WO disclosed
WO-2007058338-A2 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-05-24 WO disclosed