SCHEMBL6587638

SCHEMBL6587638

CCOC(=O)C=Cc1ccc(OC(C)C)c(OC)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.73
MAOB P27338 1/20 0.68
ACHE P22303 4/20 0.59
BCHE P06276 3/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
TTR P02766 2/20 0.56
DPP4 P27487 1/20 0.56
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KMT2A Q03164 1/20 0.55
NFE2L2 Q16236 1/20 0.55
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52

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
SCHEMBL6966283 1.00 FDPS (0.73) FDPSMAOBACHEBCHEHDAC1
SCHEMBL4813818 0.95 FDPS (0.69) FDPSMAOBACHEBCHEHDAC1
SCHEMBL4813804 0.95 FDPS (0.69) FDPSMAOBACHEBCHEHDAC1
SCHEMBL28859349 0.89 FDPS (0.84) FDPSMAOBACHEBCHETTR
SCHEMBL28859350 0.89 FDPS (0.84) FDPSMAOBACHEBCHETTR
SCHEMBL31087309 0.89 FDPS (0.84) FDPSMAOBACHEBCHETTR
SCHEMBL8046251 0.89 FDPS (0.84) FDPSMAOBACHEBCHETTR
SCHEMBL8046247 0.89 FDPS (0.84) FDPSMAOBACHEBCHETTR
SCHEMBL18010153 0.88 FDPS (0.67) FDPSMAOBACHEBCHEHDAC1
SCHEMBL16692743 0.88 FDPS (0.67) FDPSMAOBACHEBCHEHDAC1

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