Sugi Predict

Sugi Predict / Compounds / SCHEMBL5704472

SCHEMBL5704472

SCHEMBL5704472

CCc1cc(Oc2cc(C)cc(CCNC(=O)c3ccc(C(F)(F)F)cc3C)c2)ccc1CCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 16/20 0.63
▸ PPARA Q07869 16/20 0.63
▸ PPARD Q03181 14/20 0.63
▸ ESRRB O95718 1/20 0.40
▸ ESRRG P62508 1/20 0.40

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
SCHEMBL5704448 0.93 PPARG (0.72) PPARGPPARAPPARDESRRBESRRG
SCHEMBL5704451 0.92 PPARA (0.62) PPARGPPARAPPARDESRRBESRRG
SCHEMBL4615790 0.92 PPARA (0.71) PPARGPPARAPPARD
SCHEMBL5704439 0.87 PPARG (0.63) PPARGPPARAPPARD
SCHEMBL5704460 0.86 PPARA (0.54) PPARGPPARAPPARDESRRG
SCHEMBL5704473 0.85 PPARG (0.71) PPARGPPARAPPARD
SCHEMBL4616238 0.85 PPARA (0.61) PPARGPPARAPPARD
SCHEMBL5704444 0.85 PPARA (0.53) PPARGPPARAPPARDESRRG
SCHEMBL4616672 0.85 PPARA (0.70) PPARGPPARAPPARD
SCHEMBL5704416 0.84 PPARG (0.52) PPARGPPARAPPARDESRRBESRRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697304-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-09-06 — — EP disclosed
WO-2005054176-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-16 — — WO disclosed