SCHEMBL5516744

SCHEMBL5516744

CCCCCOC(=O)C1CC=C(C)CC1C(=O)OCCCCC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PPARG P37231 3/20 0.40
CHRM2 P08172 7/20 0.40
CHRM4 P08173 7/20 0.40
CHRM5 P08912 7/20 0.40
CHRM1 P11229 7/20 0.40
CHRM3 P20309 7/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.38
NAAA Q02083 1/20 0.38

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
SCHEMBL1196637 0.99 PPARG (0.42) CA1CA2PPARGCHRM2CHRM4
SCHEMBL1196659 0.99 PPARG (0.42) CA1CA2PPARGCHRM2CHRM4
SCHEMBL1195427 0.99 PPARG (0.42) CA1CA2PPARGCHRM2CHRM4
SCHEMBL5516867 0.99 PPARG (0.42) CA1CA2PPARGCHRM2CHRM4
SCHEMBL5521743 0.99 PPARG (0.42) CA1CA2PPARGCHRM2CHRM4
SCHEMBL5524445 0.99 PPARG (0.42) CA1CA2PPARGCHRM2CHRM4
SCHEMBL5515072 0.99 PPARG (0.42) CA1CA2PPARGCHRM2CHRM4
SCHEMBL5523877 0.99 PPARG (0.42) CA1CA2PPARGCHRM2CHRM4
SCHEMBL5515311 0.99 PPARG (0.42) CA1CA2PPARGCHRM2CHRM4
SCHEMBL5524748 0.99 PPARG (0.42) CA1CA2PPARGCHRM2CHRM4

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