SCHEMBL6587366

SCHEMBL6587366

COc1cc(CCC(C#N)OC(C)=O)ccc1OCc1nc(-c2ccccc2)oc1C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.48
PPARG P37231 10/20 0.45
PPARA Q07869 8/20 0.45
MAPT P10636 3/20 0.44
KMT2A Q03164 1/20 0.44
KDR P35968 1/20 0.43
PPARD Q03181 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL4843985 0.80 FFAR1 (0.59) FFAR1PPARGPPARAMAPTKMT2A
SCHEMBL7481609 0.79 FFAR1 (0.47) FFAR1PPARGPPARAPPARD
SCHEMBL4038141 0.78 KDR (0.67) FFAR1PPARGPPARAMAPTKDR
SCHEMBL6583506 0.78 FFAR1 (0.52) FFAR1PPARGPPARAMAPTKMT2A
SCHEMBL6583779 0.77 KDR (0.53) FFAR1PPARGPPARAMAPTKMT2A
SCHEMBL4033764 0.77 FFAR1 (0.53) FFAR1PPARGPPARAMAPTKDR
SCHEMBL1731684 0.76 KDR (0.53) FFAR1PPARGPPARAMAPTKDR
SCHEMBL6583244 0.76 FFAR1 (0.52) FFAR1PPARGPPARAMAPTKMT2A
SCHEMBL6582673 0.76 FFAR1 (0.49) FFAR1PPARGPPARAMAPTKMT2A
SCHEMBL4852431 0.76 MAPT (0.59) FFAR1PPARGPPARAMAPTKDR

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 4 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
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