Sugi Predict

Sugi Predict / Compounds / SCHEMBL8458581

SCHEMBL8458581

SCHEMBL8458581

COC(=O)c1ccccc1N[C@@H](Cc1ccc(OCCc2ccc(N(C)C)cc2)cc1)C(=O)O.Cc1sc(N2CCN(S(C)(=O)=O)CC2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 20/20 0.83
▸ PPARA Q07869 9/20 0.83
▸ PPARD Q03181 2/20 0.52

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
SCHEMBL2786718 0.91 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL2786712 0.91 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL7920865 0.88 PPARG (0.90) PPARGPPARAPPARD
SCHEMBL7920863 0.88 PPARG (0.90) PPARGPPARAPPARD
SCHEMBL2785147 0.83 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL2785140 0.83 PPARG (1.00) PPARGPPARAPPARD
Hydrochloric Acid SCHEMBL7705753 0.83 PPARG (0.98) PPARGPPARAPPARD
Hydrochloric Acid SCHEMBL7705758 0.83 PPARG (0.98) PPARGPPARAPPARD
SCHEMBL2789319 0.82 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL2789322 0.82 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