SCHEMBL4639397

SCHEMBL4639397

COc1ccc(-c2nc(CC(=O)Cc3ncccc3C)co2)cc1OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.44
PDE4B Q07343 13/20 0.44
PDE4C Q08493 13/20 0.44
PDE4D Q08499 13/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4640568 0.90 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL4641099 0.89 PDE4A (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL4639774 0.84 MGAM (0.38)
SCHEMBL4270719 0.83 S1PR1 (0.44) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL4271297 0.82 S1PR1 (0.43) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL4276045 0.82 EPHX2 (0.49) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL4639813 0.81 S1PR1 (0.43) S1PR1S1PR3
SCHEMBL4639469 0.81 LMNA (0.35) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL4639603 0.80 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL4277016 0.79 S1PR1 (0.45) PDE4APDE4BPDE4CPDE4DS1PR1

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