SCHEMBL4639456

SCHEMBL4639456

COc1ccc(-c2nc(CC(=O)Cc3ccccc3OC(F)(F)F)co2)cc1OCC1CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.40
PDE4B Q07343 3/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
FPR2 P25090 1/20 0.38
CNR2 P34972 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
FFAR1 O14842 1/20 0.36
SCN9A Q15858 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35

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
SCHEMBL4640423 0.93 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL4639480 0.89 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL5592710 0.89 S1PR1 (0.41) LMNAMAPT
SCHEMBL4639868 0.88 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL4640557 0.88 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL4639471 0.85 PDE4B (0.40) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL4271871 0.83 PDE4B (0.39) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL4640577 0.83 KDM4E (0.39) LMNAMAPTTHRBHPGD
SCHEMBL4276037 0.83 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL4639383 0.82 PDE4D (0.42) PDE4APDE4BPDE4CPDE4D

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