SCHEMBL5990052

SCHEMBL5990052

C[C@H](CCOc1ccc(CC(=O)O)cc1)Oc1ccc(Cl)cc1Oc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.68
PPARA Q07869 16/20 0.68
PPARD Q03181 16/20 0.68
LTB4R Q15722 2/20 0.43
LTB4R2 Q9NPC1 2/20 0.43
ACACB O00763 1/20 0.43

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
SCHEMBL5990058 1.00 PPARG (0.68) PPARGPPARAPPARDLTB4RLTB4R2
SCHEMBL5988824 0.91 PPARG (0.67) PPARGPPARAPPARD
SCHEMBL5988827 0.91 PPARG (0.67) PPARGPPARAPPARD
SCHEMBL5411425 0.90 PPARG (0.77) PPARGPPARAPPARD
SCHEMBL5411420 0.90 PPARG (0.77) PPARGPPARAPPARD
SCHEMBL5989516 0.89 PPARG (0.65) PPARGPPARAPPARD
SCHEMBL5989519 0.89 PPARG (0.65) PPARGPPARAPPARD
SCHEMBL5991963 0.88 PPARA (0.59) PPARGPPARAPPARD
SCHEMBL5991958 0.88 PPARA (0.59) PPARGPPARAPPARD
SCHEMBL5990814 0.85 PPARA (0.64) PPARGPPARAPPARDACACB

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