SCHEMBL7987719

SCHEMBL7987719

CC(=O)c1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.59
PPARG P37231 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.57
GAA P10253 1/20 0.55
PPARD Q03181 2/20 0.53
MAOB P27338 5/20 0.51
STS P08842 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
MAOA P21397 1/20 0.48
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
FFAR1 O14842 1/20 0.46

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
SCHEMBL7987736 0.87 PPARA (0.58) PPARAPPARGPPARDMAOBHRH3
SCHEMBL7155846 0.83 FFAR1 (0.68) PPARAPPARGL3MBTL1PPARDFFAR1
SCHEMBL5801869 0.83 STS (0.69) L3MBTL1GAAMAOBSTSALDH1A1
SCHEMBL12442802 0.82 PPARA (0.57) PPARAPPARGL3MBTL1PPARDMAOB
SCHEMBL13156122 0.82 PPARA (0.57) PPARAPPARGL3MBTL1PPARDMAOB
SCHEMBL28129880 0.81 STS (0.67) L3MBTL1GAAMAOBSTSALDH1A1
SCHEMBL1283804 0.81 MAOB (0.72) PPARAPPARGL3MBTL1GAAPPARD
SCHEMBL3113325 0.81 NPC1 (0.58) PPARAPPARGPPARDMAOBFFAR1
SCHEMBL6957386 0.80 MAOB (0.71) PPARGL3MBTL1GAAMAOBALDH1A1
SCHEMBL13156131 0.80 PPARA (0.63) PPARAPPARGL3MBTL1PPARDFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288096-B1 ANTIDIABETIC AGENTS, HYPOTENSIVE AGENTS, AND ANTICHOLESTEROL AGENTS ASTRAZENECA AB (SE) 2001-09-11 US disclosed
EP-0991632-A1 NEW THIAZOLIDINEDIONE, OXAZOLIDINEDIONE AND OXADIAZOLIDINEDIONE DERIVATIVES Astra Aktiebolag (SE) 2000-04-12 EP disclosed
WO-1998057941-A1 NEW THIAZOLIDINEDIONE, OXAZOLIDINEDIONE AND OXADIAZOLIDINEDIONE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1998-12-23 WO disclosed