SCHEMBL3980959

SCHEMBL3980959

CCc1oc(-c2ccc3ccccc3c2)nc1CI.CCc1oc(-c2ccc3ccccc3c2)nc1CO[C@H]1CCC[C@@H](COC(C)(Cc2ccccc2)C(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.37
PPARG P37231 14/20 0.37
PPARD Q03181 7/20 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
SCHEMBL13843997 0.96 PPARA (0.39) PPARAPPARGPPARD
SCHEMBL1930447 0.96 PPARA (0.39) PPARAPPARGPPARD
SCHEMBL1930445 0.96 PPARA (0.39) PPARAPPARGPPARD
SCHEMBL3974209 0.92 PPARA (0.37) PPARAPPARGPPARD
SCHEMBL3975429 0.91 PPARA (0.36) PPARAPPARGPPARD
SCHEMBL3972003 0.91 PPARA (0.43) PPARAPPARGPPARD
SCHEMBL13843953 0.88 PPARA (0.46) PPARAPPARGPPARD
SCHEMBL1930106 0.88 PPARA (0.40) PPARAPPARGPPARD
SCHEMBL1928816 0.88 PPARA (0.46) PPARAPPARGPPARD
SCHEMBL1930111 0.88 PPARA (0.40) 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