SCHEMBL3974129

SCHEMBL3974129

Cc1oc(-c2ccc3ccccc3c2)nc1CI.Cc1oc(-c2ccc3ccccc3c2)nc1CO[C@H]1CCC[C@@H](COC(C)(C)C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.42
PPARG P37231 18/20 0.42
PPARD Q03181 2/20 0.42
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 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
SCHEMBL1929958 0.96 PPARA (0.44) PPARAPPARGPPARD
SCHEMBL3972003 0.90 PPARA (0.43) PPARAPPARGPPARD
SCHEMBL3976365 0.90 PPARA (0.39) PPARAPPARGPPARD
SCHEMBL6265093 0.90 ALDH1A1 (0.44) PPARAPPARGPPARDSLC16A3SLC16A1
SCHEMBL5181030 0.90 PPARA (0.43) PPARAPPARGPPARD
SCHEMBL5180785 0.88 PPARA (0.40) PPARAPPARGPPARD
SCHEMBL5178764 0.88 ALDH1A1 (0.44) PPARAPPARGPPARDSLC16A3SLC16A1
SCHEMBL5181686 0.88 PPARA (0.44) PPARAPPARGPPARD
SCHEMBL1929331 0.87 PPARA (0.43) PPARAPPARGPPARDSLC16A3SLC16A1
SCHEMBL1929335 0.87 PPARA (0.43) PPARAPPARGPPARDSLC16A3SLC16A1

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