SCHEMBL4640682

SCHEMBL4640682

COc1ccc(-c2nc(CC(=O)Cc3ccccc3OC(C)C)co2)cc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
KDM4E B2RXH2 4/20 0.42
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
SMPD1 P17405 3/20 0.41
LMNA P02545 2/20 0.40
USP2 O75604 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 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
SCHEMBL5592765 0.92 TSHR (0.42) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4640424 0.91 KDM4E (0.39) KDM4ETSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4639389 0.89 KDM4E (0.43) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4641012 0.88 TSHR (0.41) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4641231 0.87 LMNA (0.36) PDE4BKDM4ETSHRALDH1A1HSD17B10
SCHEMBL4639554 0.87 PARP1 (0.41) PDE4BKDM4EALDH1A1HSD17B10MAPT
SCHEMBL4639512 0.87 LMNA (0.38) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4641121 0.87 KDM4E (0.42) KDM4ETSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4639865 0.87 KDM4E (0.41) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4639330 0.86 KDM4E (0.35) KDM4EALDH1A1HSD17B10MAPTLMNA

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