SCHEMBL4639429

SCHEMBL4639429

CCCOc1ccccc1CC(=O)Cc1coc(-c2ccc(OC)c(O)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
MAPT P10636 3/20 0.37
HSD17B10 Q99714 3/20 0.37
USP2 O75604 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
NPY2R P49146 1/20 0.37
NPC1 O15118 1/20 0.36
HCRTR1 O43613 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LTB4R Q15722 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4639483 0.93 KDM4E (0.44) KDM4EMAPTHSD17B10USP2LMNA
SCHEMBL4639690 0.91 MAPT (0.43) KDM4EMAPTHSD17B10USP2LMNA
SCHEMBL4639422 0.90 SMN1; SMN2 (0.42) KDM4EMAPTHSD17B10USP2LMNA
SCHEMBL4641257 0.86 FPR2 (0.37) KDM4ENPSR1
SCHEMBL5592687 0.86 FPR2 (0.37) KDM4EMAPTHSD17B10USP2LMNA
SCHEMBL4639475 0.86 KDM4E (0.38) KDM4EMAPTHSD17B10USP2LMNA
SCHEMBL4640544 0.85 PIK3CG (0.42) KDM4EMAPTHSD17B10USP2LMNA
SCHEMBL4639868 0.85 PDE4A (0.43) MAPTLMNA
SCHEMBL4639603 0.85 PDE4A (0.44)
SCHEMBL4639471 0.84 PDE4B (0.40) MAPTLMNA

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