SCHEMBL6583549

SCHEMBL6583549

COc1ccc(CCC2NC(=O)OC2=O)cc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.56
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
KDM4E B2RXH2 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
BLM P54132 1/20 0.47
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL6583689 0.90 SIRT2 (0.45) SIRT2ALDH1A1HSD17B10MAPTKDM4C
SCHEMBL6584720 0.89 MTNR1A (0.52) SIRT2ALDH1A1HSD17B10MAPTKDM4C
SCHEMBL8889642 0.83 APP (0.44) SIRT2ALDH1A1HSD17B10MAPTKDM4C
SCHEMBL8889749 0.80 FFAR1 (0.48) KDM4CKMT2AMEN1BCHE
SCHEMBL6581895 0.79 TAAR1 (0.50) ALDH1A1CYP1A2CYP3A4CYP2C9LMNA
SCHEMBL6584139 0.79 CYP3A4 (0.49) MAPTCYP1A2CYP3A4KMT2AMEN1
SCHEMBL6584243 0.79 PPARG (0.52) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL6583544 0.78 SIRT2 (0.59) SIRT2ALDH1A1HSD17B10MAPTKDM4C
SCHEMBL6587658 0.77 PPARG (0.52) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL8859197 0.77 FASN (0.45) ALDH1A1KMT2AMEN1LMNASMN1; SMN2

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