SCHEMBL5725307

SCHEMBL5725307

COC(=O)c1c(C)cccc1COc1cccc(OCc2coc(-c3ccc(F)cc3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.58
PPARG P37231 11/20 0.50
FFAR1 O14842 1/20 0.45
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5726047 0.92 FFAR1 (0.55) PPARAPPARGFFAR1
SCHEMBL5724659 0.92 PPARA (0.57) PPARAPPARGFFAR1
SCHEMBL4452526 0.91 PPARA (0.57) PPARAPPARGFFAR1LMNA
SCHEMBL27486055 0.88 PPARA (0.47) PPARAPPARGFFAR1
SCHEMBL5724748 0.83 PPARA (0.42) PPARAPPARGFFAR1LMNAKMT2A
SCHEMBL4450804 0.82 PPARA (0.55) PPARAPPARGFFAR1
SCHEMBL5726841 0.82 FFAR1 (0.59) PPARAPPARGFFAR1
SCHEMBL4834937 0.80 HPGD (0.44) PPARAPPARGFFAR1LMNAGAA
SCHEMBL14106685 0.80 HPGD (0.44) PPARAPPARGFFAR1LMNAGAA
SCHEMBL6487462 0.79 PPARA (0.41) PPARAPPARGFFAR1LMNAGAA

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 4 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
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed