SCHEMBL13844006

SCHEMBL13844006

CCc1oc(-c2ccc(C(C)C)cc2)nc1COC1CCC[C@@H](COC(C)(Cc2ccccc2)C(=O)O)C1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.38
PPARG P37231 15/20 0.38
PPARD Q03181 8/20 0.38
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 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
SCHEMBL1929662 1.00 PPARA (0.38) PPARAPPARGPPARDALDH1A1TSHR
SCHEMBL1929657 1.00 PPARA (0.38) PPARAPPARGPPARDALDH1A1TSHR
SCHEMBL3975429 0.96 PPARA (0.36) PPARAPPARGPPARD
SCHEMBL1929319 0.93 PPARA (0.38) PPARAPPARGPPARD
SCHEMBL1929316 0.93 PPARA (0.38) PPARAPPARGPPARD
SCHEMBL1929322 0.92 PPARA (0.45) PPARAPPARGPPARD
SCHEMBL1929321 0.92 PPARA (0.45) PPARAPPARGPPARD
SCHEMBL13843997 0.90 PPARA (0.39) PPARAPPARGPPARD
SCHEMBL1930447 0.90 PPARA (0.39) PPARAPPARGPPARD
SCHEMBL1930445 0.90 PPARA (0.39) 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-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