SCHEMBL3975429

SCHEMBL3975429

CCc1oc(-c2ccc(C(C)C)cc2)nc1CI.CCc1oc(-c2ccc(C(C)C)cc2)nc1CO[C@H]1CCC[C@@H](COC(C)(Cc2ccccc2)C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.36
PPARG P37231 16/20 0.36
PPARD Q03181 8/20 0.36

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
SCHEMBL13844006 0.96 PPARA (0.38) PPARAPPARGPPARD
SCHEMBL1929662 0.96 PPARA (0.38) PPARAPPARGPPARD
SCHEMBL1929657 0.96 PPARA (0.38) PPARAPPARGPPARD
SCHEMBL3980959 0.91 PPARA (0.37) PPARAPPARGPPARD
SCHEMBL4270112 0.91 PPARG (0.33) PPARAPPARGPPARD
SCHEMBL1929316 0.90 PPARA (0.38) PPARAPPARGPPARD
SCHEMBL1929319 0.90 PPARA (0.38) PPARAPPARGPPARD
SCHEMBL1929322 0.89 PPARA (0.45) PPARAPPARGPPARD
SCHEMBL1929321 0.89 PPARA (0.45) PPARAPPARGPPARD
SCHEMBL3976119 0.89 PPARG (0.36) PPARAPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778655-B1 2 - { - 3 2 - (PHENYL)-OXAZOL-4-YLMETHOXYL-CYCLOHEXYLMETHOXY}-PROPIONIC ACID DERIVATIVES USED AS PPAR LIGANDS (PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS) FOR THE TREATMENT OF HYPERLIPIDAEMIE AND DIABETES SANOFI AVENTIS DEUTSCHLAND (DE) 2009-05-06 EP disclosed