SCHEMBL4641099

SCHEMBL4641099

COc1ccc(-c2nc(CC(=O)Cc3ncccc3C)co2)cc1OCC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.39
PDE4B Q07343 4/20 0.39
SYK P43405 4/20 0.36
FPR2 P25090 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
HPGD P15428 1/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 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
SCHEMBL4639397 0.89 PDE4A (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL4640557 0.85 PDE4A (0.44) PDE4APDE4BFPR2LMNAMAPT
SCHEMBL4639774 0.83 MGAM (0.38) MAPTMAPK1HSD17B10HPGD
SCHEMBL4274938 0.83 PDE4B (0.40) PDE4APDE4BSYKFPR2PDE4C
SCHEMBL4639813 0.82 S1PR1 (0.43) LMNAMAPTMAPK1HSD17B10HPGD
SCHEMBL4278525 0.82 PDE4B (0.39) PDE4APDE4BSYKFPR2TSHR
SCHEMBL4274963 0.81 PDE4B (0.42) PDE4APDE4BSYKFPR2PDE4C
SCHEMBL4640423 0.81 PDE4A (0.43) PDE4APDE4BFPR2LMNAMAPT
SCHEMBL4640568 0.80 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL4286025 0.79 PDE4B (0.40) PDE4APDE4BFPR2PDE4CPDE4D

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