SCHEMBL7939532

SCHEMBL7939532

CCC(C=C(C)C(=O)O)(OC(=O)CC(C)=O)OC(=O)CC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 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
SCHEMBL3819179 0.79 MGAM (0.40) MGAMGAASIMGAM2
SCHEMBL9704439 0.76 APEX1 (0.30)
SCHEMBL7171779 0.74 ALDH1A1 (0.30)
SCHEMBL7171783 0.74 ALDH1A1 (0.30)
Hydrogen Sulfide SCHEMBL29138303 0.74
SCHEMBL31515323 0.71 GAA (0.43) MGAMGAASIMGAM2
SCHEMBL15948299 0.69 MGAM (0.38) MGAMGAASIMGAM2
SCHEMBL4927743 0.69 PTGS1 (0.31)
SCHEMBL6026609 0.69 PTGS1 (0.31)
SCHEMBL21952221 0.68 MGAM (0.44) MGAMGAASIMGAM2

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-1135444-A1 CURABLE COMPOSITIONS COMPRISING ACETOACETOXY AND IMINE FUNCTIONALITY THE SHERWIN-WILLIAMS COMPANY (US) 2001-09-26 EP disclosed
WO-2000031196-A1 CURABLE COMPOSITIONS COMPRISING ACETOACETOXY AND IMINE FUNCTIONALITY THE SHERWIN-WILLIAMS COMPANY (US) 2000-06-02 WO disclosed