SCHEMBL5525650

SCHEMBL5525650

CCCCCCCCCCCCCCCCCCOC(=O)C1CCCC(C)C1C(=O)OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.43
TSHR P16473 2/20 0.41
NAAA Q02083 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CES2 O00748 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36

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
SCHEMBL5515390 1.00 PPARG (0.43) PPARGTSHRNAAACHRM2CHRM4
SCHEMBL5531469 1.00 PPARG (0.43) PPARGTSHRNAAACHRM2CHRM4
SCHEMBL1196403 1.00 PPARG (0.43) PPARGTSHRNAAACHRM2CHRM4
SCHEMBL5521531 1.00 PPARG (0.43) PPARGTSHRNAAACHRM2CHRM4
SCHEMBL1195713 1.00 PPARG (0.43) PPARGTSHRNAAACHRM2CHRM4
SCHEMBL1196253 1.00 PPARG (0.43) PPARGTSHRNAAACHRM2CHRM4
SCHEMBL5524086 1.00 PPARG (0.43) PPARGTSHRNAAACHRM2CHRM4
SCHEMBL5516044 1.00 PPARG (0.43) PPARGTSHRNAAACHRM2CHRM4
SCHEMBL1195355 1.00 PPARG (0.43) PPARGTSHRNAAACHRM2CHRM4
SCHEMBL5523516 1.00 PPARG (0.43) PPARGTSHRNAAACHRM2CHRM4

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
US-7282601-B2 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester NEW JAPAN CHEMICAL CO., LTD. (JP) 2007-10-16 US disclosed
EP-1227078-A1 DICARBOXYLIC DIESTER, PROCESS FOR PRODUCING THE SAME, AND REFRIGERATING MACHINE LUBRICATING OIL COMPRISING THE ESTER NEW JAPAN CHEMICAL CO.,LTD. (JP) 2002-07-31 EP disclosed