SCHEMBL6818110

SCHEMBL6818110

CCOC(CCS(=O)(=O)O)Cc1ccc(OCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.49
PPARG P37231 4/20 0.49
ADAMTS4 O75173 1/20 0.42
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
S1PR1 P21453 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
CYP17A1 P05093 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
SCHEMBL6813690 0.87 PPARA (0.53) PPARAPPARGADAMTS4ITGB3ITGA2B
SCHEMBL6817531 0.87 PPARA (0.53) PPARAPPARGADAMTS4ITGB3ITGA2B
SCHEMBL6813874 0.87 PPARA (0.53) PPARAPPARGADAMTS4ITGB3ITGA2B
SCHEMBL6817490 0.85 PPARA (0.51) PPARAPPARGADAMTS4ITGB3ITGA2B
SCHEMBL6818140 0.85 PPARA (0.51) PPARAPPARGADAMTS4ITGB3ITGA2B
SCHEMBL6818144 0.85 PPARA (0.51) PPARAPPARGADAMTS4ITGB3ITGA2B
SCHEMBL6921681 0.82 PPARA (0.54) PPARAPPARGADAMTS4ITGB3ITGA2B
SCHEMBL5393093 0.81 PPARG (0.72) PPARAPPARGITGB3ITGA2B
SCHEMBL601719 0.81 PPARG (0.72) PPARAPPARGITGB3ITGA2B
SCHEMBL5991816 0.80 PPARA (0.60) PPARAPPARGADAMTS4ITGB3ITGA2B

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-1237857-B1 NEW PHENALKYLOXY-PHENYL DERIVATIVES ASTRAZENECA AB (SE) 2004-06-30 EP claimed
EP-1237857-B1 NEW PHENALKYLOXY-PHENYL DERIVATIVES ASTRAZENECA AB (SE) 2004-06-30 EP disclosed