SCHEMBL2653330

SCHEMBL2653330

CCC(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)Oc1ccc(C(=O)NCCC(=O)OC)cc1.CCC(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)Oc1ccc(C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.46
EPHX2 P34913 6/20 0.46
PPARA Q07869 5/20 0.46
GCGR P47871 7/20 0.44
PPARD Q03181 3/20 0.42
MAPK14 Q16539 1/20 0.41
GCG P01275 2/20 0.41
GIPR P48546 1/20 0.41
ADCY6 O43306 2/20 0.41
ADCY3 O60266 2/20 0.41
ADCY9 O60503 2/20 0.41
ADCY5 O95622 2/20 0.41
ADCY8 P40145 2/20 0.41
ADCY7 P51828 2/20 0.41
ADCY2 Q08462 2/20 0.41
ADCY1 Q08828 2/20 0.41
ADCY4 Q8NFM4 2/20 0.41

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
SCHEMBL2272970 0.96 PPARG (0.47) PPARGEPHX2PPARAGCGRPPARD
SCHEMBL2271566 0.90 GCGR (0.53) PPARGEPHX2PPARAGCGRPPARD
SCHEMBL2268771 0.87 PPARG (0.49) PPARGEPHX2PPARAPPARD
SCHEMBL2271648 0.81 PPARG (0.45) PPARGEPHX2PPARAPPARD
SCHEMBL1765384 0.81 GCGR (0.61) GCGRGCGGIPRADCY6ADCY3
SCHEMBL2270335 0.80 GCG (0.57) GCGRGCGGIPR
SCHEMBL2270333 0.80 GCG (0.57) GCGRGCGGIPR
SCHEMBL2654579 0.79 PPARD (0.43) PPARGEPHX2PPARAGCGRPPARD
SCHEMBL2653651 0.78 PPARG (0.44) PPARGEPHX2PPARAGCGRPPARD
SCHEMBL1765699 0.77 GCGR (0.62) GCGRGCGGIPR

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-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 WO disclosed