SCHEMBL4382004

SCHEMBL4382004

CCc1oc(-c2ccc3ccccc3c2)nc1COC[C@@H]1CCC[C@H](COC(C)(C)C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.42
PPARG P37231 15/20 0.42
PPARD Q03181 4/20 0.42
SLC16A3 O15427 4/20 0.36
SLC16A1 P53985 4/20 0.36
MCTS1 Q9ULC4 2/20 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
SCHEMBL4384708 1.00 PPARA (0.42) PPARAPPARGPPARDSLC16A3SLC16A1
SCHEMBL4482467 1.00 PPARA (0.42) PPARAPPARGPPARDSLC16A3SLC16A1
SCHEMBL4382001 1.00 PPARA (0.42) PPARAPPARGPPARDSLC16A3SLC16A1
SCHEMBL5181005 0.96 PPARA (0.40) PPARAPPARGPPARDSLC16A3SLC16A1
SCHEMBL4377292 0.96 PPARA (0.40) PPARAPPARGPPARDSLC16A3SLC16A1
SCHEMBL1929331 0.92 PPARA (0.43) PPARAPPARGPPARDSLC16A3SLC16A1
SCHEMBL1929335 0.92 PPARA (0.43) PPARAPPARGPPARDSLC16A3SLC16A1
SCHEMBL4924261 0.92 PPARA (0.45) PPARAPPARGPPARD
SCHEMBL4389972 0.91 PPARG (0.40) PPARAPPARGPPARDSLC16A3SLC16A1
SCHEMBL4388960 0.91 PPARG (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1789402-B1 2-{-3-2-(PHENYL)-OXAZOL-4-YLMETHOXYMETHYL!-CYCLOHEXYLMETHOXY };-PROPIONIC ACID DERIVATIVES USED AS PPAR LIGANDES (PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS) FOR THE TREATMENT OF HYPERLIPIDAEMIE AND DIABETES SANOFI AVENTIS DEUTSCHLAND (DE) 2009-11-18 EP claimed
US-7538131-B2 2-{-3-′2-(phenyl)-oxazol-4-ylmethoxymethyl-cyclohexylmethoxy}-propionic acid derivatives useful as peroxisome proliferator-activated receptor (PPAR) ligands for the treatment of hyperlipidemia and diabetes SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-05-26 US claimed