Sugi Predict

Sugi Predict / Compounds / SCHEMBL4380128

SCHEMBL4380128

SCHEMBL4380128

COC(c1nc(-c2ccc(-c3ccccc3)cc2)oc1C)[C@H]1CCC[C@@H](COC(C)(C)C(=O)O)C1.Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CI

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 15/20 0.44
▸ PPARG P37231 13/20 0.44
▸ PPARD Q03181 2/20 0.44
▸ PDE8B O95263 2/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL4375516 0.88 PPARA (0.39) PPARAPPARGPPARD
SCHEMBL4380132 0.84 PPARA (0.49) PPARAPPARGPPARDPDE8BCNR2
SCHEMBL4391936 0.82 PPARG (0.33) PPARAPPARGPPARD
SCHEMBL4391942 0.82 PPARG (0.35) PPARAPPARGPPARD
SCHEMBL4375526 0.82 PPARG (0.35) PPARAPPARGPPARD
SCHEMBL4377288 0.82 PPARG (0.37) PPARAPPARGPPARD
SCHEMBL4380738 0.82 PPARG (0.42) PPARAPPARGPPARD
SCHEMBL4386895 0.82 PPARG (0.42) PPARAPPARGPPARD
SCHEMBL4382592 0.81 PPARA (0.34) PPARAPPARGPPARD
SCHEMBL4388895 0.81 PPARA (0.34) 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-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