SCHEMBL6504864

SCHEMBL6504864

CCOC(=O)C(C)(Cc1ccc(OCc2ccccc2)cc1)C(=O)OCC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 1/20 0.56
ALDH1A1 P00352 2/20 0.54
NR1H4 Q96RI1 1/20 0.54
ALOX5 P09917 3/20 0.53
MAOB P27338 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
PPARG P37231 2/20 0.50
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
PRKCA P17252 1/20 0.50
PRKCD Q05655 1/20 0.50
PPARD Q03181 1/20 0.49

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
SCHEMBL15669148 0.89 L3MBTL1 (0.56) MMP8L3MBTL1LMNAALDH1A1NR1H4
SCHEMBL3994508 0.88 L3MBTL1 (0.55) MMP8L3MBTL1LMNAALDH1A1NR1H4
SCHEMBL8710582 0.87 MMP8 (0.79) MMP8L3MBTL1LMNAALDH1A1MAPT
SCHEMBL7714028 0.87 FFAR1 (0.55) MMP8L3MBTL1LMNAALDH1A1NR1H4
SCHEMBL5992353 0.86 L3MBTL1 (0.53) MMP8L3MBTL1LMNAALDH1A1NR1H4
SCHEMBL8505531 0.85 FFAR1 (0.52) MMP8L3MBTL1LMNAALDH1A1NR1H4
SCHEMBL2807182 0.85 PPARG (0.55) MMP8L3MBTL1LMNAALDH1A1NR1H4
SCHEMBL7619725 0.85 FFAR1 (0.52) MMP8L3MBTL1LMNAALDH1A1NR1H4
SCHEMBL6507452 0.85 NR1H4 (0.53) MMP8L3MBTL1LMNAALDH1A1NR1H4
SCHEMBL7099922 0.84 PPARG (0.59) L3MBTL1LMNAALDH1A1ALOX5MAOB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO disclosed
EP-0503563-B1 Novel 8-substituted purines as selective adenosine receptor agents MERRELL PHARMA INC (US) 2003-09-17 EP disclosed
US-5208240-A Alzeheimer's, cardiovascular, respiratory MERRELL DOW PHARMACEUTICALS INC. (US) 1993-05-04 US disclosed
EP-0503563-A2 Novel 8-substituted purines as selective adenosine receptor agents MERRELL PHARMACEUTICALS INC. (US) 1992-09-16 EP disclosed