SCHEMBL9863137

SCHEMBL9863137

CCOC(=O)COc1cccc(OCC(=O)OCC)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.67
PPARG P37231 1/20 0.67
GAA P10253 4/20 0.59
KDM4E B2RXH2 4/20 0.59
HSD17B10 Q99714 3/20 0.59
NPSR1 Q6W5P4 2/20 0.58
HPGD P15428 4/20 0.57
LMNA P02545 2/20 0.54
F9 P00740 1/20 0.52
F10 P00742 1/20 0.52
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
TP53 P04637 2/20 0.51
MAPK1 P28482 2/20 0.50
ATM Q13315 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL11828515 0.96 PPARA (0.63) PPARAPPARGGAAKDM4EHSD17B10
SCHEMBL2317973 0.93 LMNA (0.66) PPARAPPARGGAAKDM4EHSD17B10
SCHEMBL6494581 0.91 GAA (0.66) PPARAPPARGGAAKDM4EHSD17B10
SCHEMBL15063418 0.89 PPARA (0.56) PPARAPPARGGAAKDM4EHSD17B10
SCHEMBL8147320 0.89 PPARA (0.56) PPARAPPARGGAAKDM4EHSD17B10
SCHEMBL655678 0.89 TP53 (0.62) PPARAPPARGGAAKDM4EHSD17B10
SCHEMBL6463823 0.89 PPARA (0.59) PPARAPPARGGAAKDM4EHSD17B10
SCHEMBL7033340 0.89 PPARA (0.59) PPARAPPARGGAAKDM4EHSD17B10
SCHEMBL12504047 0.89 PPARA (0.71) PPARAPPARGGAAKDM4EHSD17B10
SCHEMBL29577774 0.89 TP53 (0.62) PPARAPPARGGAAKDM4EHSD17B10

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-5030705-A Packaging material MITSUBISHI KASEI CORPORATION (JP) 1991-07-09 US disclosed
US-4959421-A PHENYLENEBIS/OXYACETIC ACID/ MITSUBISHI KASEI CORPORATION (JP) 1990-09-25 US disclosed