SCHEMBL5525323

SCHEMBL5525323

CCC(C)OC(=O)C1CC=CC(C)C1C(=O)OC(C)CC

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 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
SCHEMBL21950881 0.89 GAA (0.33) GAA
SCHEMBL1196244 0.84 POLB (0.42) GAAPOLBNPSR1
SCHEMBL28404052 0.83 POLB (0.33) POLB
SCHEMBL30142936 0.82 POLB (0.36) GAAPOLB
SCHEMBL5520260 0.81 GAA (0.33) GAAPOLBNPSR1
SCHEMBL21950882 0.81 POLB (0.34) POLB
SCHEMBL5512509 0.81 GAA (0.51) GAAPOLBNPSR1
SCHEMBL10332288 0.78 GAA (0.43) GAAPOLBNPSR1
SCHEMBL435305 0.78 GAA (0.43) GAAPOLBNPSR1
SCHEMBL10332290 0.78 GAA (0.43) GAAPOLBNPSR1

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