SCHEMBL5725488

SCHEMBL5725488

Cc1cccc(COc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)c1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.62
PPARA Q07869 18/20 0.62
PPARD Q03181 2/20 0.55
KDR P35968 1/20 0.55

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
SCHEMBL5726538 0.93 KDR (0.64) PPARGPPARAKDR
SCHEMBL5724746 0.92 PPARG (0.57) PPARGPPARAKDR
SCHEMBL5724948 0.83 KDR (0.59) PPARGPPARAKDR
SCHEMBL5580833 0.81 PPARG (0.66) PPARGPPARA
SCHEMBL5761671 0.80 PPARG (0.65) PPARGPPARAKDR
SCHEMBL7740069 0.79 PPARG (0.69) PPARGPPARAPPARD
SCHEMBL13721507 0.79 PPARG (0.65) PPARGPPARA
SCHEMBL4389208 0.79 PPARG (0.79) PPARGPPARAPPARD
SCHEMBL6088674 0.79 SLC26A4 (0.63)
SCHEMBL5105473 0.79 PPARA (0.82) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177176-B1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA GMBH (DE) 2006-04-19 EP disclosed
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed