SCHEMBL6991776

SCHEMBL6991776

CC(C)(C)OC(=O)C1CNc2ccc(CCCCCOS(C)(=O)=O)cc21

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.32
PPARG P37231 1/20 0.32
NAAA Q02083 2/20 0.31
GPR119 Q8TDV5 2/20 0.31

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
SCHEMBL6993576 0.86 CYP4A11 (0.35) PPARAPPARG
SCHEMBL7218505 0.80 THRA (0.37) PPARAPPARG
SCHEMBL27824398 0.79 EPHX2 (0.36) PPARAPPARGGPR119
SCHEMBL6988448 0.77 LSS (0.35)
SCHEMBL1161006 0.72 EPHX2 (0.38)
SCHEMBL6991041 0.72 GPR119 (0.34) GPR119
SCHEMBL3986151 0.71 EPHX2 (0.37)
SCHEMBL4586631 0.71 EPHX2 (0.37)
SCHEMBL7421738 0.69 POLB (0.32)
SCHEMBL9720181 0.69 CA12 (0.45) PPARG

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-1349833-A1 INDOLE AND DIHYDROINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-10-08 EP disclosed
WO-2002044149-A1 INDOLE AND DIHYDROINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-06 WO disclosed