SCHEMBL12477883

SCHEMBL12477883

CC(C)CCCCc1c(C(=O)O)ccc(C(=O)O)c1CCCCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.43
GRIN2D O15399 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
PPARA Q07869 2/20 0.38
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.37
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
BLM P54132 1/20 0.36
PPARG P37231 1/20 0.36
MCL1 Q07820 1/20 0.35
KAT8 Q9H7Z6 2/20 0.35
GABRP O00591 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
SCHEMBL14989260 0.98 RARB (0.42) RARBGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL6443847 0.98 RARB (0.42) RARBGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL6445849 0.98 RARB (0.42) RARBGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL10817051 0.98 RARB (0.42) RARBGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL14835993 0.98 RARB (0.42) RARBGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL1438635 0.98 RARB (0.42) RARBGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL14989139 0.98 RARB (0.42) RARBGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL9239203 0.98 RARB (0.42) RARBGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL17999118 0.95 RARB (0.40) RARBGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL6445108 0.94 GRIN2D (0.47) RARBGRIN2DGRIN2AGRIN2BGRIN2C

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2678322-B1 FURANDICARBONIC ACID PENTYL ESTER AS PLASTICIZERS EVONIK DEGUSSA GMBH (DE) 2017-07-19 EP disclosed
EP-2678321-B1 C11 - C13 DIALKYLESTERS OF FURANDICARBONIC ACID AS PLASTICIZERS EVONIK DEGUSSA GMBH (DE) 2016-10-05 EP disclosed
EP-2678323-B1 FURANDICARBONIC ACID HEPTYL ESTER AS PLASTICIZERS EVONIK DEGUSSA GMBH (DE) 2016-08-10 EP disclosed
WO-2012113609-A1 HEPTYL ESTERS OF FURAN DICARBOXYLIC ACID AS SOFTENERS EVONIK OXENO GMBH (DE) 2012-08-30 WO disclosed
WO-2012113607-A1 C11-C13 DIALKYL ESTERS OF FURANDICARBOXYLIC ACID AS SOFTENERS EVONIK OXENO GMBH (DE) 2012-08-30 WO disclosed
WO-2012113608-A1 PENTYL ESTERS OF FURANDICARBOXYLIC ACID AS SOFTENERS EVONIK OXENO GMBH (DE) 2012-08-30 WO disclosed