SCHEMBL6583689

SCHEMBL6583689

CCOc1cc(CCC2NC(=O)OC2=O)ccc1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ATM Q13315 1/20 0.45
MAPT P10636 4/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
APP P05067 1/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
NTSR1 P30989 2/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 2/20 0.41

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
SCHEMBL8889642 0.93 APP (0.44) SIRT2MEN1KMT2AATMMAPT
SCHEMBL6583549 0.90 SIRT2 (0.56) SIRT2MEN1KMT2AMAPTAPP
SCHEMBL6584720 0.83 MTNR1A (0.52) SIRT2MEN1KMT2AMAPTAPP
SCHEMBL6583798 0.81 GAA (0.44) MEN1KMT2AMAPTTHRBKDM4E
SCHEMBL8889749 0.79 FFAR1 (0.48) MEN1KMT2AKDM4C
SCHEMBL6583684 0.79 SIRT2 (0.47) SIRT2MEN1KMT2AATMMAPT
SCHEMBL6583405 0.78 FFAR1 (0.41) MAPTKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL6586247 0.78 PPARG (0.48) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL8859197 0.76 FASN (0.45) MEN1KMT2APOLBLMNASMN1; SMN2
SCHEMBL8889117 0.75 GAA (0.42) MEN1KMT2AMAPTTHRBKDM4E

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
WO-1997000249-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-03 WO disclosed
EP-0710659-A1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-08 EP disclosed