SCHEMBL4620672

SCHEMBL4620672

Cc1cc(OCc2nc(-c3ccc(-c4ccccc4)cc3)c[nH]2)c(C2CC2)cc1OCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.44
PPARA Q07869 3/20 0.44
PTGDR2 Q9Y5Y4 5/20 0.43
PPARG P37231 2/20 0.41
PTGDR Q13258 1/20 0.40

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
SCHEMBL4178415 0.82 PPARD (0.68) PPARDPPARAPTGDR2PPARG
SCHEMBL4182987 0.74 PPARD (0.57) PPARDPPARAPTGDR2PTGDR
SCHEMBL4620667 0.74 PPARD (0.42) PPARDPPARAPTGDR2PPARGPTGDR
SCHEMBL4185340 0.72 PPARD (0.70) PPARDPPARAPTGDR2PPARG
SCHEMBL4196468 0.71 PPARD (0.51) PPARDPPARAPTGDR2PPARGPTGDR
SCHEMBL4183127 0.67 PPARD (0.61) PPARDPPARAPTGDR2PPARG
SCHEMBL4196471 0.67 PPARD (0.60) PPARDPPARAPTGDR2PPARG
SCHEMBL4466562 0.67 RAB9A (0.45)
SCHEMBL5510509 0.65 PPARD (0.52) PPARDPPARAPTGDR2PPARG
SCHEMBL5750522 0.64 RAB9A (0.43)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945620-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP disclosed
WO-2007056366-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 WO disclosed