SCHEMBL28697217

SCHEMBL28697217

CCOC(=O)CC(C)(C)/C=C\C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.47
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 3/20 0.38
TRPA1 O75762 1/20 0.38
HSD11B1 P28845 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CYP1A2 P05177 1/20 0.33
TBXAS1 P24557 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL24219837 0.85 HCAR2 (0.47) HCAR2GAAMGAMSIMGAM2
SCHEMBL9796548 0.85 GAA (0.40) HCAR2GAAMGAMSIMGAM2
SCHEMBL31534657 0.85 HCAR2 (0.47) HCAR2GAAMGAMSIMGAM2
SCHEMBL31534655 0.85 HCAR2 (0.47) HCAR2GAAMGAMSIMGAM2
SCHEMBL9796550 0.85 GAA (0.40) HCAR2GAAMGAMSIMGAM2
SCHEMBL9796861 0.82 GAA (0.42) HCAR2GAAMGAMSIMGAM2
SCHEMBL9796858 0.82 GAA (0.42) HCAR2GAAMGAMSIMGAM2
SCHEMBL9796701 0.81 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9796704 0.81 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28682778 0.81 HTT (0.38) HCAR2GAAMGAMSIMGAM2

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
CN-113968786-B Process for preparing two methyl substituted 2-oxo-3-cyclopentene-1-carboxylate compounds and dicarboxylic acid ester compounds for preparing same 信越化学工业株式会社 2025-03-28 CN disclosed
CN-113968786-A Process for preparing two methyl-substituted 2-oxo-3-cyclopentene-1-carboxylate compounds and dicarboxylate compounds for preparation 信越化学工业株式会社 2022-01-25 CN disclosed