SCHEMBL2728443

SCHEMBL2728443

CCOC(=O)CC(C)(OOCC(C)C)OOCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.39
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
ALDH1A1 P00352 3/20 0.35
TRPA1 O75762 1/20 0.35
HSD11B1 P28845 1/20 0.33
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
TSHR P16473 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP4F2 P78329 2/20 0.31
CYP4A11 Q02928 2/20 0.31
ABCB11 O95342 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTR2A P28223 1/20 0.31
PMP22 Q01453 1/20 0.31
PPARA Q07869 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL2727913 0.83 MMP8 (0.37) MMP8GAAMGAMSIMGAM2
SCHEMBL11149670 0.76 GAA (0.38) MMP8GAAMGAMSIMGAM2
SCHEMBL1424899 0.76 NAAA (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL23007 0.76 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20678556 0.75 NAAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL24168 0.73 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL915738 0.72 TSHR (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12501779 0.71 GAA (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10595181 0.71 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7199767 0.71 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1

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
EP-2632977-A1 PREPARATION OF FOAM MATERIALS DERIVED FROM RENEWABLE RESOURCES The Procter and Gamble Company (US) 2013-09-04 EP disclosed
WO-2012058081-A1 PREPARATION OF FOAM MATERIALS DERIVED FROM RENEWABLE RESOURCES THE PROCTER & GAMBLE COMPANY (US) 2012-05-03 WO disclosed