SCHEMBL7466873

SCHEMBL7466873

CCCc1c(OOCCCCOc2cccc(CC(=O)OC)c2)ccc2c(CCc3ccccc3)csc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.45
PPARA Q07869 10/20 0.45
PPARD Q03181 10/20 0.45
PLA2G4B P0C869 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
PTGES O14684 2/20 0.35
ALOX5 P09917 2/20 0.35
ITGB3 P05106 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA5 P08648 1/20 0.35
ITGB5 P18084 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL5208981 0.93 PPARG (0.51) PPARGPPARAPPARDPLA2G4BPTGES
SCHEMBL5208530 0.83 PPARD (0.49) PPARGPPARAPPARD
SCHEMBL5205501 0.78 PPARA (0.57) PPARGPPARAPPARD
SCHEMBL5209930 0.76 PPARG (0.49) PPARGPPARAPPARDPLA2G4BPTGES
SCHEMBL5209680 0.75 PPARG (0.57) PPARGPPARAPPARD
SCHEMBL5211380 0.74 PPARG (0.62) PPARGPPARAPPARD
SCHEMBL5209686 0.73 PPARG (0.56) PPARGPPARAPPARD
SCHEMBL5203941 0.72 PPARD (0.53) PPARGPPARAPPARDPLA2G4BKDM4E
SCHEMBL5211391 0.72 PPARG (0.40) PPARGPPARAPPARDPTGESALOX5
SCHEMBL5207075 0.72 PPARG (0.58) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040102-A4 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2002-11-27 EP disclosed
EP-1194146-A4 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2002-07-31 EP disclosed
EP-1194146-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2002-04-10 EP disclosed
WO-2000078312-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 2000-12-28 WO disclosed
EP-1040102-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2000-10-04 EP disclosed
WO-1999032465-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 1999-07-01 WO disclosed