SCHEMBL5138142

SCHEMBL5138142

C=C[C](OC(=O)CC(C)=O)OC(=O)CC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 5/20 0.38
TSHR P16473 3/20 0.37
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL867454 0.82 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL449524 0.77 MGAM (0.67) MGAMGAASIMGAM2ALDH1A1
Ethylene Glycol SCHEMBL5797276 0.77 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL27433613 0.76 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
1,4-Butanediol SCHEMBL5799331 0.74 MGAM (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL967731 0.73 MGAM (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL29163762 0.73 MGAM (0.55) MGAMGAASIMGAM2ALDH1A1
Acrylic Acid SCHEMBL27608229 0.73 MGAM (0.68) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5398281 0.72 ALDH1A1 (0.50) ALDH1A1TSHRTDP1LMNA
SCHEMBL8364199 0.72 MGAM (0.60) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435777-B2 Low-VOC compositions containing a polymeric latex, coatings made therefrom, substrates containing same, and methods for making same COLUMBIA INSURANCE COMPANY (US) 2008-10-14 US disclosed
WO-2007102878-A2 LOW-VOC COMPOSITIONS CONTAINING A POLYMERIC LATEX, COATINGS MADE THEREFROM, SUBSTRATES CONTAINING SAME, AND METHOD FOR MAKING SAME BENJAMIN MOORE & CO. (US) 2007-09-13 WO disclosed
US-20070154646-A1 Low-VOC compositions containing a polymeric latex, coatings made therefrom, substrates containing same, and methods for making same COLUMBIA INSURANCE COMPANY 2007-07-05 US disclosed