SCHEMBL11993009

SCHEMBL11993009

O=C(O)C(CCSc1ccc(O)cc1)Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.53
PPARG P37231 10/20 0.53
PPARD Q03181 2/20 0.43
PTPN1 P18031 2/20 0.40
KIF11 P52732 1/20 0.40
SLC6A9 P48067 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL3967738 0.90 PPARG (0.62) PPARAPPARGPTPN1SLC6A9SLC6A2
SCHEMBL3971738 0.89 PPARA (0.52) PPARAPPARGPPARDPTPN1SLC6A9
SCHEMBL3973894 0.89 PPARA (0.52) PPARAPPARGPPARDPTPN1SLC6A9
SCHEMBL3971145 0.89 PPARA (0.52) PPARAPPARGPPARDPTPN1SLC6A9
SCHEMBL11993139 0.87 PPARA (0.42) PPARAPPARGPPARDPTPN1KIF11
Pemaglitazar SCHEMBL6902218 0.81 PPARA (0.52) PPARAPPARGPPARDPTPN1SLC6A9
Pemaglitazar SCHEMBL6902223 0.81 PPARA (0.52) PPARAPPARGPPARDPTPN1SLC6A9
SCHEMBL3973311 0.81 PPARG (0.54) PPARAPPARGPTPN1
SCHEMBL3976202 0.81 PPARG (0.51) PPARAPPARGPPARDPTPN1SLC6A9
SCHEMBL11993021 0.81 PPARG (0.51) PPARAPPARGPPARDPTPN1SLC6A9

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
EP-1412326-B1 BUTYRIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2012-08-22 EP disclosed
US-7491747-B2 4-(Arylthio)- or (4-heteroarylthio)butyric acid derivatives that may be used in the treatment of dyslipidaemia, atherosclerosis and diabetes MERCK PATENT GMBH (DE) 2009-02-17 US disclosed
US-7491747-B2 4-(Arylthio)- or (4-heteroarylthio)butyric acid derivatives that may be used in the treatment of dyslipidaemia, atherosclerosis and diabetes MERCK PATENT GMBH (DE) 2009-02-17 US disclosed