SCHEMBL4391941

SCHEMBL4391941

CCc1oc(-c2ccc(C(C)(C)C)cc2)nc1CI.CCc1oc(-c2ccc(C(C)(C)C)cc2)nc1COC[C@@H]1CCC[C@H](COC(C)(C)C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.36
PPARG P37231 12/20 0.36
PPARD Q03181 4/20 0.36
PTGER2 P43116 1/20 0.33
PTGDR Q13258 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR5 Q9H228 1/20 0.33
IKBKB O14920 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL4377325 0.96 PPARA (0.39) PPARAPPARGPPARDS1PR4S1PR1
SCHEMBL4478212 0.96 PPARA (0.39) PPARAPPARGPPARDS1PR4S1PR1
SCHEMBL4381987 0.89 PPARA (0.41) PPARAPPARGPPARD
SCHEMBL4475020 0.89 PPARA (0.41) PPARAPPARGPPARD
SCHEMBL4388898 0.89 PPARA (0.37) PPARAPPARGPPARDNPSR1
SCHEMBL4382593 0.89 PPARA (0.37) PPARAPPARGPPARDNPSR1
SCHEMBL4380740 0.89 PPARA (0.45) PPARAPPARGPPARDS1PR4S1PR1
SCHEMBL4386898 0.89 PPARA (0.45) PPARAPPARGPPARDS1PR4S1PR1
SCHEMBL4380913 0.88 PPARA (0.46) PPARAPPARGPPARDNPSR1
SCHEMBL4380920 0.88 PPARA (0.46) PPARAPPARGPPARDNPSR1

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