SCHEMBL4641121

SCHEMBL4641121

CCOc1ccccc1CC(=O)Cc1coc(-c2ccc(OC)c(OC(C)C)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
USP2 O75604 2/20 0.42
MAPT P10636 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CFTR P13569 1/20 0.38
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 1/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPY2R P49146 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA3 P0DMS8 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
SCHEMBL4640424 0.94 KDM4E (0.39) KDM4EUSP2MAPTHSD17B10LMNA
SCHEMBL4639925 0.92 KDM4E (0.41) KDM4EUSP2MAPTHSD17B10LMNA
SCHEMBL4639709 0.91 LMNA (0.37) KDM4EUSP2MAPTHSD17B10LMNA
SCHEMBL5592984 0.91 LMNA (0.36) KDM4EUSP2MAPTHSD17B10LMNA
SCHEMBL5592764 0.90 PARP1 (0.39) KDM4EUSP2MAPTHSD17B10LMNA
SCHEMBL4639512 0.89 LMNA (0.38) KDM4EUSP2MAPTHSD17B10LMNA
SCHEMBL4639660 0.89 KDM4E (0.41) KDM4EUSP2MAPTHSD17B10LMNA
SCHEMBL4639422 0.88 SMN1; SMN2 (0.42) KDM4EUSP2MAPTHSD17B10LMNA
SCHEMBL4639857 0.88 S1PR1 (0.40) KDM4EHSD17B10LMNAS1PR1S1PR3
SCHEMBL4639814 0.88 KDM4E (0.41) KDM4EUSP2MAPTHSD17B10LMNA

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