SCHEMBL6498698

SCHEMBL6498698

CCCOC(Cc1ccc(OC)c(C(N)C(=O)c2nc(-c3ccccc3)sc2C)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.41
PPARA Q07869 12/20 0.39
MMP1 P03956 2/20 0.38
PPARD Q03181 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
TPH1 P17752 2/20 0.36

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
SCHEMBL6497309 0.86 PPARG (0.41) PPARGPPARAPPARD
SCHEMBL6502621 0.83 PPARG (0.41) PPARGPPARAPPARDL3MBTL1
SCHEMBL6504833 0.82 PPARG (0.40) PPARGPPARAPPARD
SCHEMBL6498702 0.81 PPARG (0.52) PPARGPPARAPPARD
SCHEMBL5552673 0.80 PPARG (0.37) PPARGPPARAMMP1PPARDL3MBTL1
SCHEMBL5549053 0.79 PPARG (0.35) PPARGPPARAMMP1PPARDL3MBTL1
SCHEMBL6498647 0.77 PPARG (0.37) PPARGPPARAPPARDTPH1
SCHEMBL5549704 0.76 PPARG (0.38) PPARGPPARAPPARDL3MBTL1
SCHEMBL5553471 0.76 PPARG (0.35) PPARGPPARAPPARDL3MBTL1
SCHEMBL6497349 0.75 OPRK1 (0.40) PPARGPPARAMMP1PPARDL3MBTL1

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
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed