Pemaglitazar

Pemaglitazar

SCHEMBL6904388

Cc1ccccc1SCC[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)O.Cc1ccccc1SCC[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)O.O=C([O-])[O-].[Cs+].[Cs+]

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Pemaglitazar. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.52
PPARA Q07869 9/20 0.52
PTPN1 P18031 2/20 0.44
SLC6A9 P48067 8/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
Pemaglitazar SCHEMBL6904078 1.00 PPARG (0.52) PPARGPPARAPTPN1SLC6A9NPC1
Pemaglitazar SCHEMBL3971148 0.96 PPARG (0.56) PPARGPPARAPTPN1SLC6A9NPC1
Pemaglitazar SCHEMBL3971139 0.96 PPARG (0.56) PPARGPPARAPTPN1SLC6A9NPC1
Pemaglitazar SCHEMBL29908544 0.96 PPARG (0.56) PPARGPPARAPTPN1SLC6A9NPC1
Pemaglitazar SCHEMBL3971735 0.96 PPARG (0.56) PPARGPPARAPTPN1SLC6A9NPC1
Pemaglitazar SCHEMBL6904072 0.94 PPARG (0.54) PPARGPPARAPTPN1SLC6A9NPC1
Pemaglitazar SCHEMBL6902218 0.92 PPARA (0.52) PPARGPPARAPTPN1SLC6A9NPC1
Pemaglitazar SCHEMBL6902223 0.92 PPARA (0.52) PPARGPPARAPTPN1SLC6A9NPC1
SCHEMBL11992998 0.87 PPARG (0.58) PPARGPPARAPTPN1SLC6A9
SCHEMBL3970938 0.85 NPC1 (0.47) PPARGPPARAPTPN1SLC6A9NPC1

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
EP-1412326-A1 BUTYRIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 2004-04-28 EP disclosed
WO-2003011819-A1 BUTYRIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2003-02-13 WO disclosed