Sugi Predict

Sugi Predict / Compounds / SCHEMBL5990249

SCHEMBL5990249

SCHEMBL5990249

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

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 18/20 0.64
▸ PPARG P37231 17/20 0.64
▸ PPARD Q03181 16/20 0.64
▸ FFAR1 O14842 1/20 0.40
▸ TSPO P30536 1/20 0.38

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
SCHEMBL5990252 1.00 PPARA (0.64) PPARAPPARGPPARDFFAR1TSPO
SCHEMBL5992465 0.92 PPARG (0.59) PPARAPPARGPPARDFFAR1TSPO
SCHEMBL5990927 0.92 PPARG (0.59) PPARAPPARGPPARDFFAR1TSPO
SCHEMBL5990058 0.84 PPARG (0.68) PPARAPPARGPPARD
SCHEMBL5990052 0.84 PPARG (0.68) PPARAPPARGPPARD
SCHEMBL5411420 0.83 PPARG (0.77) PPARAPPARGPPARDFFAR1
SCHEMBL5411425 0.83 PPARG (0.77) PPARAPPARGPPARDFFAR1
SCHEMBL5990821 0.80 PPARA (0.64) PPARAPPARGPPARD
SCHEMBL5990814 0.80 PPARA (0.64) PPARAPPARGPPARD
SCHEMBL5988824 0.80 PPARG (0.67) PPARAPPARGPPARD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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