SCHEMBL11658017

SCHEMBL11658017

CC=CC(=O)NCNC(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GLA P06280 1/20 0.34
KMT2A Q03164 1/20 0.34
ACHE P22303 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL7618800 0.82 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3738418 0.80 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13010591 0.76 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL265676 0.76 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9880227 0.74 ALDH1A1 (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12439226 0.73
SCHEMBL25721760 0.72 TSHR (0.70) GAAALDH1A1TSHRMAPK1TDP1
SCHEMBL13144619 0.71 SMN1; SMN2 (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1099502 0.71
SCHEMBL4138284 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4119680-A SULFONATE MONOMER, UNSATURATED DICARBOXYLIC ACIDS EASTMAN KODAK COMPANY (US) 1978-10-10 US disclosed