SCHEMBL4639291

SCHEMBL4639291

COc1ccc(-c2nc(CNC(=O)c3ccccc3OCF)co2)cc1OCC1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.47
PDE4A P27815 6/20 0.47
PDE4C Q08493 5/20 0.47
PDE4D Q08499 5/20 0.47
HPGD P15428 4/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 2/20 0.39
RIPK1 Q13546 1/20 0.39
NOD2 Q9HC29 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FPR2 P25090 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL4279613 0.94 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL15429028 0.94 MAPT (0.43) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL4280362 0.93 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL4275646 0.91 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL4278639 0.91 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL4276037 0.91 PDE4A (0.43) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL4280788 0.91 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL4273841 0.91 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL4271668 0.90 PDE4A (0.44) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL4272488 0.90 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DHPGD

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