SCHEMBL5523396

SCHEMBL5523396

CCCCCOC(=O)C1CC=CC(C)C1C(=O)OCCCCC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.42
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
NAAA Q02083 1/20 0.37
TSHR P16473 4/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
EPHX1 P07099 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL5523445 0.99 PPARG (0.44) PPARGCHRM2CHRM4CHRM5CHRM1
SCHEMBL1195617 0.99 PPARG (0.44) PPARGCHRM2CHRM4CHRM5CHRM1
SCHEMBL1196898 0.99 PPARG (0.44) PPARGCHRM2CHRM4CHRM5CHRM1
SCHEMBL5520208 0.99 PPARG (0.44) PPARGCHRM2CHRM4CHRM5CHRM1
SCHEMBL5517063 0.99 PPARG (0.44) PPARGCHRM2CHRM4CHRM5CHRM1
SCHEMBL5519040 0.99 PPARG (0.44) PPARGCHRM2CHRM4CHRM5CHRM1
SCHEMBL5515614 0.99 PPARG (0.44) PPARGCHRM2CHRM4CHRM5CHRM1
SCHEMBL5519264 0.99 PPARG (0.44) PPARGCHRM2CHRM4CHRM5CHRM1
SCHEMBL5516048 0.99 PPARG (0.44) PPARGCHRM2CHRM4CHRM5CHRM1
SCHEMBL1195432 0.99 PPARG (0.44) PPARGCHRM2CHRM4CHRM5CHRM1

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