Sugi Predict

Sugi Predict / Compounds / SCHEMBL6191963

SCHEMBL6191963

SCHEMBL6191963

C=C(C)n1nc(-c2ccc(OC(F)(F)F)cc2)cc1CC(NC)c1ccc(OC(C)(C)C(=O)O)c(Cl)c1.CCCn1nc(-c2ccc(C(F)(F)F)cc2)cc1CC(NC)c1ccc(OC(C)(C)C(=O)O)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 12/20 0.39
▸ PPARA Q07869 12/20 0.39
▸ PPARG P37231 9/20 0.39
▸ GCGR P47871 8/20 0.37
▸ GIPR P48546 1/20 0.33

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
SCHEMBL4685197 0.91 PPARD (0.42) PPARDPPARAPPARGGCGR
SCHEMBL4679263 0.90 PPARD (0.43) PPARDPPARAPPARG
SCHEMBL4678200 0.84 PPARA (0.44) PPARDPPARAPPARGGCGR
SCHEMBL4681945 0.84 PPARA (0.37) PPARDPPARAPPARGGCGR
SCHEMBL4682171 0.83 PPARA (0.36) PPARDPPARAPPARGGCGR
SCHEMBL4681924 0.82 PPARD (0.45) PPARDPPARAPPARGGCGR
SCHEMBL6191959 0.82 PPARD (0.41) PPARDPPARAPPARGGCGR
SCHEMBL4786216 0.82 PPARA (0.45) PPARDPPARAPPARG
SCHEMBL4679233 0.81 PPARD (0.48) PPARDPPARAPPARG
SCHEMBL4681905 0.79 GCGR (0.42) PPARDPPARAPPARGGCGRGIPR

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-1513796-A2 PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-16 — — EP disclosed
WO-2004000785-A2 PHENYLOXYALKANONIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-31 — — WO disclosed