SCHEMBL5989516

SCHEMBL5989516

Cc1cc(CC(=O)O)ccc1OCC[C@@H](C)Oc1ccc(Cl)cc1Oc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.65
PPARD Q03181 15/20 0.65
PPARA Q07869 13/20 0.65
SRD5A2 P31213 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
PTGDR2 Q9Y5Y4 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
SCHEMBL5989519 1.00 PPARG (0.65) PPARGPPARDPPARASRD5A2L3MBTL1
SCHEMBL5989188 0.92 PPARA (0.57) PPARGPPARDPPARASRD5A2
SCHEMBL5989190 0.92 PPARA (0.57) PPARGPPARDPPARASRD5A2
SCHEMBL5990106 0.91 PPARG (0.73) PPARGPPARDPPARAFFAR1FFAR4
SCHEMBL5990103 0.91 PPARG (0.73) PPARGPPARDPPARAFFAR1FFAR4
SCHEMBL5991963 0.90 PPARA (0.59) PPARGPPARDPPARAPTGDR2
SCHEMBL5991958 0.90 PPARA (0.59) PPARGPPARDPPARAPTGDR2
SCHEMBL5990058 0.89 PPARG (0.68) PPARGPPARDPPARA
SCHEMBL5990052 0.89 PPARG (0.68) PPARGPPARDPPARA
SCHEMBL5988824 0.88 PPARG (0.67) PPARGPPARDPPARAPTGDR2

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
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US claimed
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed