SCHEMBL6604087

SCHEMBL6604087

COc1ccc(-c2nc(CCOc3ccc(C[C@H](N)C(=O)O)cc3)c(C)o2)cc1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.66
PPARA Q07869 13/20 0.65
PPARD Q03181 3/20 0.64
TPH1 P17752 1/20 0.60

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
SCHEMBL7674267 0.92 PPARG (0.71) PPARGPPARAPPARD
SCHEMBL5173961 0.92 PPARG (0.77) PPARGPPARAPPARD
Hydrochloric Acid SCHEMBL6276718 0.91 PPARG (0.75) PPARGPPARAPPARD
Hydrochloric Acid SCHEMBL6276712 0.91 PPARG (0.75) PPARGPPARAPPARD
SCHEMBL7676889 0.90 PPARG (0.67) PPARGPPARAPPARD
SCHEMBL7680256 0.89 PPARG (0.63) PPARGPPARAPPARD
SCHEMBL27568087 0.88 PPARG (0.71) PPARGPPARAPPARD
SCHEMBL6608605 0.88 PPARG (0.71) PPARGPPARAPPARD
SCHEMBL13206247 0.86 PPARG (0.74) PPARGPPARAPPARD
SCHEMBL13206269 0.86 PPARG (0.74) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102757-B1 SUBSTITUTED OXAZOLE AND THIAZOLE DERIVATIVES AS HPPAR GAMMA AND HPPAR ALPHA ACTIVATORS GLAXO GROUP LTD (GB) 2004-04-14 EP disclosed