Sugi Predict

Sugi Predict / Compounds / SCHEMBL4376904

SCHEMBL4376904

SCHEMBL4376904

CC(C)Cc1ccc(-c2nc(CI)c(C(C)C)o2)cc1.COC(c1nc(-c2ccc(CC(C)C)cc2)oc1C(C)C)[C@H]1CCC[C@@H](COC(C)(C)C(=O)O)C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.35
▸ PPARA Q07869 4/20 0.35
▸ PPARD Q03181 3/20 0.35
▸ S1PR1 P21453 11/20 0.34
▸ S1PR4 O95977 9/20 0.33
▸ S1PR5 Q9H228 9/20 0.33
▸ S1PR3 Q99500 4/20 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
SCHEMBL4380738 0.92 PPARG (0.42) PPARGPPARAPPARD
SCHEMBL4386895 0.92 PPARG (0.42) PPARGPPARAPPARD
SCHEMBL4391942 0.89 PPARG (0.35) PPARGPPARAPPARD
SCHEMBL4378270 0.89 PPARA (0.34) PPARGPPARAPPARD
SCHEMBL4375526 0.89 PPARG (0.35) PPARGPPARAPPARD
SCHEMBL4383905 0.86 SLC16A3 (0.41) —
SCHEMBL4389987 0.86 SLC16A3 (0.41) —
SCHEMBL4376906 0.86 PPARG (0.38) PPARGPPARAPPARDS1PR1S1PR4
SCHEMBL4494219 0.82 PPARG (0.40) PPARGPPARAPPARDS1PR1S1PR4
SCHEMBL4377284 0.82 PPARG (0.40) 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