SCHEMBL5724948

SCHEMBL5724948

CCOC(=O)c1c(C)cccc1COc1cccc(OCc2nc(-c3ccccc3)oc2C)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.59
FFAR1 O14842 1/20 0.52
PPARG P37231 11/20 0.51
PPARA Q07869 11/20 0.51
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.50
TARBP2 Q15633 1/20 0.49

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 0.90 KDR (0.64) KDRFFAR1PPARGPPARAMAPT
SCHEMBL5724746 0.85 PPARG (0.57) KDRPPARGPPARA
SCHEMBL5725488 0.83 PPARG (0.62) KDRPPARGPPARA
SCHEMBL3527831 0.81 KDR (0.69) KDRFFAR1PPARGPPARAMAPT
SCHEMBL5397217 0.81 FFAR1 (0.57) KDRFFAR1PPARGPPARAMAPT
SCHEMBL6968514 0.80 KDR (0.60) KDRFFAR1PPARGPPARAMAPT
SCHEMBL6968517 0.80 KDR (0.60) KDRFFAR1PPARGPPARAMAPT
SCHEMBL6091207 0.79 SMPD1 (0.50) FFAR1PPARGMAPT
SCHEMBL6089878 0.79 CYSLTR2 (0.44) PPARGMAPT
SCHEMBL3528719 0.78 KDR (0.76) KDRFFAR1PPARGPPARAMAPT

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