SCHEMBL7987772

SCHEMBL7987772

CS(=O)(=O)Oc1ccc(CCOc2ccc(CNO)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.56
PPARG P37231 2/20 0.56
PPARD Q03181 2/20 0.48
FFAR1 O14842 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CACNA1F O60840 1/20 0.41
CHRM2 P08172 1/20 0.41
ACHE P22303 1/20 0.41
AGTR1 P30556 1/20 0.41
DRD3 P35462 1/20 0.41
CACNA1D Q01668 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1S Q13698 1/20 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
SCHEMBL12442802 0.82 PPARA (0.57) PPARAPPARGPPARDFFAR1CA12
SCHEMBL13156122 0.82 PPARA (0.57) PPARAPPARGPPARDFFAR1CA12
SCHEMBL3113325 0.81 NPC1 (0.58) PPARAPPARGPPARDFFAR1CA12
SCHEMBL7155846 0.80 FFAR1 (0.68) PPARAPPARGPPARDFFAR1
SCHEMBL7987719 0.80 PPARA (0.59) PPARAPPARGPPARDFFAR1
SCHEMBL7987736 0.79 PPARA (0.58) PPARAPPARGPPARDFFAR1CA12
SCHEMBL7987761 0.78 ALDH1A1 (0.55) PPARAPPARGPPARDFFAR1CA12
SCHEMBL14376420 0.78 PPARA (0.64) PPARAPPARGPPARDFFAR1CA12
SCHEMBL979920 0.78 PPARA (0.49) PPARAPPARGPPARDCA1CA2
SCHEMBL7987769 0.78 PPARA (0.57) PPARAPPARGPPARDFFAR1ADRB2

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