SCHEMBL8457660

SCHEMBL8457660

Cc1sc(-c2ccncc2)nc1CCOc1ccc(CC(Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1.Cc1sc(N2CCOCC2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1

nearest known ligand 0.87

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.87
PPARA Q07869 9/20 0.87
PPARD Q03181 1/20 0.59

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
SCHEMBL8457673 1.00 PPARG (0.87) PPARGPPARAPPARD
SCHEMBL8457664 0.95 PPARG (0.78) PPARGPPARAPPARD
SCHEMBL2789319 0.93 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL2789322 0.93 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL2787121 0.90 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL2787118 0.90 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL7923250 0.88 PPARG (0.89) PPARGPPARAPPARD
SCHEMBL7923249 0.88 PPARG (0.89) PPARGPPARAPPARD
SCHEMBL2788829 0.86 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL2785147 0.86 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