Sugi Predict

Sugi Predict / Compounds / SCHEMBL8461510

SCHEMBL8461510

SCHEMBL8461510

COc1ccc(-c2nc(CCOc3ccc(CC(Nc4ccccc4C(=O)c4ccccc4)C(=O)O)cc3)c(C)o2)cc1.O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(OCCn2cnc3ccccc32)cc1)C(=O)O

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 20/20 0.82
▸ PPARA Q07869 7/20 0.82
▸ PPARD Q03181 2/20 0.76

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
SCHEMBL2785853 0.91 PPARG (1.00) PPARGPPARAPPARD
Farglitazar SCHEMBL2208414 0.87 PPARG (1.00) PPARGPPARAPPARD
Farglitazar SCHEMBL501024 0.87 PPARG (1.00) PPARGPPARAPPARD
Farglitazar SCHEMBL14281408 0.87 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL7920853 0.86 PPARG (0.90) PPARGPPARAPPARD
SCHEMBL2787978 0.86 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL2786596 0.85 PPARG (0.66) PPARGPPARA
SCHEMBL2786733 0.83 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL2786727 0.83 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL2787220 0.83 PPARG (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888317-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1999-01-07 — — EP disclosed
WO-1997031907-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1997-09-04 — — WO disclosed