SCHEMBL4391944

SCHEMBL4391944

CC(C)c1oc(-c2ccc3ccccc3c2)nc1CI.CC(C)c1oc(-c2ccc3ccccc3c2)nc1COC[C@H]1CCC[C@@H](COC(C)(C)C(=O)O)C1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.38
PPARA Q07869 11/20 0.38
PPARD Q03181 7/20 0.38
SLC16A3 O15427 8/20 0.35
SLC16A1 P53985 8/20 0.35
MCTS1 Q9ULC4 2/20 0.35

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
SCHEMBL4375529 1.00 PPARG (0.38) PPARGPPARAPPARDSLC16A3SLC16A1
SCHEMBL4388960 0.96 PPARG (0.40) PPARGPPARAPPARDSLC16A3SLC16A1
SCHEMBL4389972 0.96 PPARG (0.40) PPARGPPARAPPARDSLC16A3SLC16A1
SCHEMBL4483727 0.96 PPARG (0.40) PPARGPPARAPPARDSLC16A3SLC16A1
SCHEMBL4378274 0.91 PPARA (0.36) PPARGPPARAPPARDSLC16A3SLC16A1
SCHEMBL4383910 0.90 SLC16A3 (0.42) SLC16A3SLC16A1MCTS1
SCHEMBL4389989 0.90 SLC16A3 (0.42) SLC16A3SLC16A1MCTS1
SCHEMBL4377292 0.90 PPARA (0.40) PPARGPPARAPPARDSLC16A3SLC16A1
SCHEMBL4380740 0.89 PPARA (0.45) PPARGPPARAPPARD
SCHEMBL4386898 0.89 PPARA (0.45) PPARGPPARAPPARD

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