SCHEMBL4382014

SCHEMBL4382014

Cc1oc(-c2ccc(C(C)C)cc2)nc1COC[C@@H]1CCC[C@H](COC(C)(C)C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.44
PPARG P37231 17/20 0.44
PPARD Q03181 2/20 0.44

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
SCHEMBL4388972 1.00 PPARA (0.44) PPARAPPARGPPARD
SCHEMBL4382008 1.00 PPARA (0.44) PPARAPPARGPPARD
SCHEMBL5181646 0.92 PPARA (0.38) PPARAPPARGPPARD
SCHEMBL4931721 0.91 PPARA (0.38) PPARAPPARGPPARD
SCHEMBL4931702 0.91 PPARA (0.38) PPARAPPARGPPARD
SCHEMBL4931706 0.91 PPARA (0.38) PPARAPPARGPPARD
SCHEMBL4386752 0.91 PPARA (0.46) PPARAPPARGPPARD
SCHEMBL4375409 0.91 PPARA (0.46) PPARAPPARGPPARD
SCHEMBL4375407 0.91 PPARA (0.46) PPARAPPARGPPARD
SCHEMBL3980560 0.91 PPARA (0.43) 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-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