Sugi Predict

Sugi Predict / Compounds / SCHEMBL7708720

SCHEMBL7708720

SCHEMBL7708720

COC(=O)c1ccccc1N[C@@H](Cc1ccc(OCCc2ccc(Cl)cc2)cc1)C(=O)O.COC(=O)c1ccccc1N[C@@H](Cc1ccc(OCCc2ccc(OC(F)(F)F)cc2)cc1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 20/20 0.74
▸ PPARA Q07869 2/20 0.61
▸ PPARD Q03181 1/20 0.61

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
SCHEMBL2809500 0.95 PPARG (0.81) PPARGPPARAPPARD
SCHEMBL2809497 0.95 PPARG (0.81) PPARGPPARAPPARD
SCHEMBL2811590 0.94 PPARG (0.79) PPARGPPARAPPARD
SCHEMBL2811592 0.94 PPARG (0.79) PPARGPPARAPPARD
SCHEMBL7923430 0.88 PPARG (0.69) PPARGPPARAPPARD
SCHEMBL7923427 0.88 PPARG (0.69) PPARGPPARAPPARD
SCHEMBL7914472 0.87 PPARG (0.67) PPARGPPARAPPARD
SCHEMBL7914468 0.87 PPARG (0.67) PPARGPPARAPPARD
SCHEMBL2785813 0.85 PPARG (1.00) PPARGPPARA
SCHEMBL9995084 0.84 PPARG (0.62) PPARGPPARAPPARD

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
JP-3255930-B2 — — 2002-02-12 — — JP claimed
JP-2000507216-A — — 2000-06-13 — — JP claimed
EP-0888317-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1999-01-07 — — EP claimed
WO-1997031907-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1997-09-04 — — WO claimed