SCHEMBL6989034

SCHEMBL6989034

CCOS(=O)(=O)c1ccc(C)c(-c2nc(C3(C)CCCCC3)oc2C)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 13/20 0.33
PIK3CG P48736 13/20 0.33
PIK3CD O00329 12/20 0.33
MTOR P42345 1/20 0.31
CNR2 P34972 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
PIK3C3 Q8NEB9 2/20 0.30

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
SCHEMBL27579769 0.79 PPARG (0.36) PIK3CBPIK3CGPIK3CDCA12CA1
SCHEMBL6986435 0.74 TARBP2 (0.46)
SCHEMBL6703700 0.74 TARBP2 (0.46)
SCHEMBL6993450 0.74 FFAR2 (0.38)
SCHEMBL27607598 0.74 MAPT (0.36)
SCHEMBL27597552 0.74 UTRN (0.37)
SCHEMBL6994309 0.73 MAPT (0.41) CA9
SCHEMBL6988862 0.72 PPARG (0.38)
SCHEMBL29104730 0.71 APP (0.36) CNR2
SCHEMBL4894750 0.70 CA12 (0.41) CA12CA1CA9

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
CN-1578659-A Modulators of peroxisome proliferator activated receptors (ppar) LILLY CO ELI (US) 2005-02-09 CN disclosed
CN-1471517-A OXAZOLYL-arylpropionic acid derivatives and their sue as PPAR agonists 2004-01-28 CN disclosed
EP-1313716-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
WO-2002016331-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-02-28 WO disclosed