SCHEMBL4376906

SCHEMBL4376906

CC(C)Cc1ccc(-c2nc(CI)c(C(C)C)o2)cc1.CC(C)Cc1ccc(-c2nc(COC[C@H]3CCC[C@@H](COC(C)(C)C(=O)O)C3)c(C(C)C)o2)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.38
PPARA Q07869 6/20 0.38
PPARD Q03181 3/20 0.38
S1PR1 P21453 12/20 0.35
S1PR4 O95977 9/20 0.34
S1PR5 Q9H228 9/20 0.34
S1PR3 Q99500 4/20 0.34
SLC16A3 O15427 1/20 0.31
SLC16A1 P53985 1/20 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
SCHEMBL4377284 0.96 PPARG (0.40) PPARGPPARAPPARDS1PR1S1PR4
SCHEMBL4494219 0.96 PPARG (0.40) PPARGPPARAPPARDS1PR1S1PR4
SCHEMBL4380740 0.91 PPARA (0.45) PPARGPPARAPPARDS1PR1S1PR4
SCHEMBL4386898 0.91 PPARA (0.45) PPARGPPARAPPARDS1PR1S1PR4
SCHEMBL4377242 0.89 PPARA (0.39) PPARGPPARAPPARDS1PR1S1PR5
SCHEMBL4375529 0.88 PPARG (0.38) PPARGPPARAPPARDSLC16A3SLC16A1
SCHEMBL4391944 0.88 PPARG (0.38) PPARGPPARAPPARDSLC16A3SLC16A1
SCHEMBL4378274 0.88 PPARA (0.36) PPARGPPARAPPARDSLC16A3SLC16A1
SCHEMBL4487371 0.86 PPARA (0.48) PPARGPPARAPPARDS1PR1S1PR4
SCHEMBL4481413 0.86 PPARA (0.48) PPARGPPARAPPARDS1PR1S1PR4

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