SCHEMBL6581248

SCHEMBL6581248

COc1cc(C=CC=C2OC(=O)NC2=O)ccc1OCc1coc(-c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CISD1 Q9NZ45 1/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
PPARA Q07869 4/20 0.37
PPARG P37231 3/20 0.37
CA2 P00918 4/20 0.37
CA5A P35218 4/20 0.37
CA9 Q16790 4/20 0.37
APP P05067 2/20 0.36
FFAR1 O14842 1/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL6581254 0.89 ALDH1A1 (0.37) KMT2AMEN1ALDH1A1KDM4EPPARA
SCHEMBL6971349 0.85 MEN1 (0.53) KMT2AMEN1CISD1HPGD
SCHEMBL6585566 0.84 ALDH1A1 (0.54) KMT2AMEN1CISD1ALDH1A1KDM4E
SCHEMBL6971353 0.83 MEN1 (0.44) KMT2AMEN1CISD1ALDH1A1KDM4E
SCHEMBL6582223 0.83 TRPA1 (0.48) ALDH1A1KDM4EPPARAPPARGCA2
SCHEMBL6582227 0.83 TRPA1 (0.48) ALDH1A1KDM4EPPARAPPARGCA2
SCHEMBL8188195 0.83 MEN1 (0.55) KMT2AMEN1CISD1ALDH1A1KDM4E
SCHEMBL8186829 0.79 MEN1 (0.52) KMT2AMEN1CISD1ALDH1A1KDM4E
SCHEMBL6586658 0.79 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1PPARAPPARG
SCHEMBL8482892 0.79 CA2 (0.57) ALDH1A1KDM4ECA2CA5ACA9

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-0710659-B1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-28 EP disclosed
US-5932601-A USEFUL FOR LOWERING BLOOD SUGAR AND LIPID IN BLOOD TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-03 US disclosed
EP-0710659-A1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-08 EP disclosed