SCHEMBL10856497

SCHEMBL10856497

CCOC(=O)CNS(=O)(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
MGAM O43451 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
ALDH1A1 P00352 6/20 0.44
TRPA1 O75762 1/20 0.43
PKM P14618 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PPID Q08752 1/20 0.38
CYP1A2 P05177 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL2012444 0.83 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27347606 0.83 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL966840 0.81 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3365530 0.81 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2583703 0.79 CA12 (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13480885 0.79 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3292956 0.79 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12959650 0.78 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27362485 0.77 CA12 (0.33) GAAALDH1A1CA12CA2SMN1; SMN2
SCHEMBL24876686 0.76 GAA (0.45) 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
US-4595532-A N-(substituted-methyl)-azetidin-2-ones UNIVERSITY OF NOTRE DAME DU LAC (US) 1986-06-17 US disclosed
EP-0116432-A2 Improvements in or relating to N-(substituted-methyl)-azetidin-2-ones THE UNIVERSITY OF NOTRE DAME DU LAC (US) 1984-08-22 EP disclosed