SCHEMBL6529670

SCHEMBL6529670

CCOC(=O)C(Cc1ccc(C#CCN2C(=O)COc3ccccc32)cc1)OCC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.48
PPARA Q07869 2/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 2/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PTAFR P25105 1/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
ALOX12 P18054 1/20 0.39

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
SCHEMBL6531482 0.83 PPARG (0.45) PPARGPPARAKMT2ATSHR
SCHEMBL6530937 0.79 PPARG (0.44) PPARGPPARA
SCHEMBL6533008 0.78 PPARA (0.67) PPARGPPARA
SCHEMBL6528529 0.78 PPARG (0.47) PPARGPPARAALDH1A1
SCHEMBL5101768 0.77 PPARG (0.62) PPARGPPARAKMT2AMEN1TP53
SCHEMBL6429385 0.76 KMT2A (0.49) PPARGPPARAKMT2AMEN1TP53
SCHEMBL5103870 0.75 PPARG (0.76) PPARGPPARA
SCHEMBL6532464 0.75 PPARA (0.54) PPARGPPARA
SCHEMBL6533265 0.72 PTAFR (0.46) KMT2AMEN1POLBL3MBTL1PTAFR
SCHEMBL4878974 0.72 PPARG (0.51) PPARGPPARA

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
WO-2005100318-A1 ALKANOIC ACIDS AND THEIR ESTERS AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (US) 2005-10-27 WO claimed
WO-2005100318-A1 ALKANOIC ACIDS AND THEIR ESTERS AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (US) 2005-10-27 WO disclosed