SCHEMBL4382592

SCHEMBL4382592

CCc1oc(-c2ccc(C)c(C)c2)nc1C(OC)[C@H]1CCC[C@@H](COC(C)(C)C(=O)O)C1.CCc1oc(-c2ccc(C)c(C)c2)nc1CI

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.34
PPARG P37231 7/20 0.33
PPARD Q03181 2/20 0.33

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
SCHEMBL4388895 1.00 PPARA (0.34) PPARAPPARGPPARD
SCHEMBL4377288 0.91 PPARG (0.37) PPARAPPARGPPARD
SCHEMBL4391936 0.90 PPARG (0.33) PPARAPPARGPPARD
SCHEMBL4378270 0.88 PPARA (0.34) PPARAPPARGPPARD
SCHEMBL4388898 0.85 PPARA (0.37) PPARAPPARGPPARD
SCHEMBL4382593 0.85 PPARA (0.37) PPARAPPARGPPARD
SCHEMBL4929653 0.85 PPARG (0.35) PPARAPPARGPPARD
SCHEMBL4929643 0.85 PPARG (0.35) PPARAPPARGPPARD
SCHEMBL4380128 0.81 PPARA (0.44) PPARAPPARGPPARD
SCHEMBL5481277 0.81 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-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 disclosed