SCHEMBL11993021

SCHEMBL11993021

Cc1cccc(SCC[C@H](Oc2ccc(C(F)(F)F)cc2)C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.51
PPARA Q07869 9/20 0.51
PTPN1 P18031 2/20 0.44
PPARD Q03181 8/20 0.40
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
SLC6A9 P48067 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
SCHEMBL3976202 1.00 PPARG (0.51) PPARGPPARAPTPN1PPARDPTGES
SCHEMBL6903473 0.92 PPARG (0.44) PPARGPPARAPTPN1PPARD
SCHEMBL3973021 0.89 PPARG (0.47) PPARGPPARAPPARDALOX5
SCHEMBL3967738 0.87 PPARG (0.62) PPARGPPARAPTPN1SLC6A9
SCHEMBL3973311 0.87 PPARG (0.54) PPARGPPARAPTPN1
SCHEMBL3971145 0.86 PPARA (0.52) PPARGPPARAPTPN1PPARDPTGES
SCHEMBL3971738 0.86 PPARA (0.52) PPARGPPARAPTPN1PPARDPTGES
SCHEMBL3973894 0.86 PPARA (0.52) PPARGPPARAPTPN1PPARDPTGES
Pemaglitazar SCHEMBL6902223 0.83 PPARA (0.52) PPARGPPARAPTPN1PPARDSLC6A9
Pemaglitazar SCHEMBL6902218 0.83 PPARA (0.52) PPARGPPARAPTPN1PPARDSLC6A9

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