SCHEMBL5697287

SCHEMBL5697287

CCCC[Si](C)(C)OCCCCc1cccc(S(C)(=O)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPL P06858 3/20 0.38
LIPG Q9Y5X9 3/20 0.38
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GRM2 Q14416 3/20 0.35
GRM3 Q14832 2/20 0.35
GLS O94925 1/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL30765859 0.81 CA2 (0.45) HSD17B10
SCHEMBL5423992 0.80 GRM2 (0.38) CYP4F2CYP4A11ALDH1A1GAAHSD17B10
SCHEMBL10180044 0.80 LPL (0.47) LPLLIPGALDH1A1GAAHSD17B10
SCHEMBL27878821 0.74 IDO1 (0.46)
SCHEMBL10180595 0.73 KAT6A (0.48) ALDH1A1GAAHSD17B10GRM2GRM3
SCHEMBL5429891 0.71 CYP4F2 (0.51) LPLLIPGCYP4F2CYP4A11ALDH1A1
SCHEMBL22235687 0.71 LPL (0.61) LPLLIPG
SCHEMBL6444977 0.71 LPL (0.56) LPLLIPGPPARGPPARAALDH1A1
SCHEMBL11426304 0.70 LPL (0.57) LPLLIPGPPARGPPARAALDH1A1
SCHEMBL11266570 0.70 LPL (0.57) LPLLIPGPPARGPPARAALDH1A1

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-1675821-A1 PHENETANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
WO-2005044787-A1 PHENETANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-05-19 WO disclosed