SCHEMBL4377288

SCHEMBL4377288

CCc1oc(-c2ccc3ccccc3c2)nc1C(OC)[C@H]1CCC[C@@H](COC(C)(C)C(=O)O)C1.CCc1oc(-c2ccc3ccccc3c2)nc1CI

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.37
PPARA Q07869 10/20 0.37
PPARD Q03181 3/20 0.37
SLC16A3 O15427 3/20 0.31
SLC16A1 P53985 3/20 0.31
MCTS1 Q9ULC4 1/20 0.31

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
SCHEMBL4929653 0.94 PPARG (0.35) PPARGPPARAPPARDSLC16A3SLC16A1
SCHEMBL4929643 0.94 PPARG (0.35) PPARGPPARAPPARDSLC16A3SLC16A1
SCHEMBL4388895 0.91 PPARA (0.34) PPARGPPARAPPARD
SCHEMBL4382592 0.91 PPARA (0.34) PPARGPPARAPPARD
SCHEMBL4391936 0.89 PPARG (0.33) PPARGPPARAPPARD
SCHEMBL4391942 0.89 PPARG (0.35) PPARGPPARAPPARDSLC16A3SLC16A1
SCHEMBL4375526 0.89 PPARG (0.35) PPARGPPARAPPARDSLC16A3SLC16A1
SCHEMBL4377292 0.85 PPARA (0.40) PPARGPPARAPPARDSLC16A3SLC16A1
SCHEMBL4380128 0.82 PPARA (0.44) PPARGPPARAPPARD
SCHEMBL4384708 0.81 PPARA (0.42) PPARGPPARAPPARDSLC16A3SLC16A1

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