SCHEMBL6587536

SCHEMBL6587536

COc1cc(/C=C/CO)ccc1OC(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.58
PTGS1 P23219 2/20 0.52
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
NFE2L2 Q16236 1/20 0.48
CYP1A1 P04798 3/20 0.47
PTGS2 P35354 1/20 0.47
PDE4B Q07343 2/20 0.47
PDE4A P27815 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
TUBB1 Q9H4B7 3/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 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
SCHEMBL6587547 1.00 MMP9 (0.58) MMP9PTGS1HDAC1HDAC2HDAC8
SCHEMBL2458079 0.87 CYP1A1 (0.61) MMP9PTGS1NFE2L2CYP1A1PTGS2
SCHEMBL1301189 0.87 CYP1A1 (0.61) MMP9PTGS1NFE2L2CYP1A1PTGS2
SCHEMBL30625282 0.87 CYP1A1 (0.61) MMP9PTGS1NFE2L2CYP1A1PTGS2
SCHEMBL1301186 0.87 CYP1A1 (0.61) MMP9PTGS1NFE2L2CYP1A1PTGS2
SCHEMBL2679429 0.81 PTGS1 (0.54) MMP9PTGS1NFE2L2CYP1A1PTGS2
SCHEMBL16960211 0.79 ALDH1A1 (0.47) PTGS1HDAC1HDAC2HDAC8NFE2L2
SCHEMBL12193255 0.79 PDE4B (0.50) PTGS1HDAC1HDAC2HDAC8NFE2L2
SCHEMBL21015053 0.78 MMP9 (0.87) MMP9PTGS1HDAC1HDAC2HDAC8
SCHEMBL22047109 0.78 KDM4E (0.77) PTGS1HDAC1HDAC2HDAC8NFE2L2

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 9 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
EP-0783496-B9 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-09-03 EP disclosed
EP-0783496-B1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-26 EP disclosed
US-5965589-A AN ACTIVE MATERIAL HAVING HYPOGLYCEMIC ACTIVITY AND BLOOD LIPID LOWERING ACTIVITY, FOR USE AS AN ANTIDIABETIC AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-12 US disclosed
US-5932601-A USEFUL FOR LOWERING BLOOD SUGAR AND LIPID IN BLOOD TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-03 US disclosed
EP-0783496-A1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-07-16 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
WO-1996005186-A1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-22 WO disclosed