SCHEMBL5524748

SCHEMBL5524748

CCCCCCCCCCCCOC(=O)C1CC=C(C)CC1C(=O)OCCCCCCCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.42
CHRM2 P08172 6/20 0.41
CHRM4 P08173 6/20 0.41
CHRM5 P08912 6/20 0.41
CHRM1 P11229 6/20 0.41
CHRM3 P20309 6/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ESR1 P03372 1/20 0.40
NAAA Q02083 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 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 1.00 PPARG (0.42) PPARGCHRM2CHRM4CHRM5CHRM1
SCHEMBL5516867 1.00 PPARG (0.42) PPARGCHRM2CHRM4CHRM5CHRM1
SCHEMBL5515311 1.00 PPARG (0.42) PPARGCHRM2CHRM4CHRM5CHRM1
SCHEMBL5521743 1.00 PPARG (0.42) PPARGCHRM2CHRM4CHRM5CHRM1
SCHEMBL1195427 1.00 PPARG (0.42) PPARGCHRM2CHRM4CHRM5CHRM1
SCHEMBL5515072 1.00 PPARG (0.42) PPARGCHRM2CHRM4CHRM5CHRM1
SCHEMBL5524445 1.00 PPARG (0.42) PPARGCHRM2CHRM4CHRM5CHRM1
SCHEMBL1196659 1.00 PPARG (0.42) PPARGCHRM2CHRM4CHRM5CHRM1
SCHEMBL5523877 1.00 PPARG (0.42) PPARGCHRM2CHRM4CHRM5CHRM1
SCHEMBL1195943 1.00 PPARG (0.42) 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