SCHEMBL7466720

SCHEMBL7466720

COc1cc(CNC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OC(C)(C)C(=O)O.Cc1nc(-c2cc(C(F)(F)F)ccn2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)cc1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.73
PPARD Q03181 10/20 0.73
PPARG P37231 5/20 0.73

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
SCHEMBL7526072 0.93 PPARA (0.61) PPARAPPARDPPARG
SCHEMBL6582510 0.90 PPARA (0.75) PPARAPPARDPPARG
SCHEMBL6582790 0.89 PPARA (0.76) PPARAPPARDPPARG
Gw590735 SCHEMBL3673228 0.85 PPARA (1.00) PPARAPPARDPPARG
SCHEMBL6580900 0.82 PPARA (0.77) PPARAPPARDPPARG
SCHEMBL6582991 0.82 PPARA (0.62) PPARAPPARDPPARG
SCHEMBL6582598 0.81 PPARA (0.63) PPARAPPARDPPARG
SCHEMBL6584498 0.80 PPARA (1.00) PPARAPPARDPPARG
SCHEMBL7465084 0.80 PPARA (0.94) PPARAPPARDPPARG
SCHEMBL6582584 0.79 PPARA (1.00) PPARAPPARDPPARG

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-1244642-A1 SUBSTITUTED OXAZOLES AND THIAZOLES DERIVATIVES AS HPPAR ALPHA ACTIVATORS GLAXO GROUP LIMITED (GB) 2002-10-02 EP disclosed
WO-2001040207-A1 SUBSTITUTED OXAZOLES AND THIAZOLES DERIVATIVES AS HPPAR ALPHA ACTIVATORS GLAXO GROUP LIMITED (GB) 2001-06-07 WO disclosed