SCHEMBL19903782

SCHEMBL19903782

CC(=O)NC1C(OCCN)OC(CO)[C@H](O)C1O

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.71
ALDH1A1 P00352 2/20 0.60
THRB P10828 1/20 0.60
LGALS8 O00214 1/20 0.56
LGALS3 P17931 1/20 0.56
LGALS4 P56470 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
CD69 Q07108 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
IGF2R P11717 1/20 0.48
B4GALT1 P15291 1/20 0.48

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
SCHEMBL31536873 1.00 MAPK1 (0.71) MAPK1ALDH1A1THRBLGALS8LGALS3
SCHEMBL36783651 1.00 MAPK1 (0.71) MAPK1ALDH1A1THRBLGALS8LGALS3
SCHEMBL3717192 1.00 MAPK1 (0.71) MAPK1ALDH1A1THRBLGALS8LGALS3
SCHEMBL13702251 1.00 MAPK1 (0.71) MAPK1ALDH1A1THRBLGALS8LGALS3
SCHEMBL14345965 1.00 MAPK1 (0.71) MAPK1ALDH1A1THRBLGALS8LGALS3
SCHEMBL4290431 1.00 MAPK1 (0.71) MAPK1ALDH1A1THRBLGALS8LGALS3
SCHEMBL22576748 1.00 MAPK1 (0.71) MAPK1ALDH1A1THRBLGALS8LGALS3
SCHEMBL21940522 1.00 MAPK1 (0.71) MAPK1ALDH1A1THRBLGALS8LGALS3
SCHEMBL21018974 1.00 MAPK1 (0.71) MAPK1ALDH1A1THRBLGALS8LGALS3
SCHEMBL15489113 1.00 MAPK1 (0.71) MAPK1ALDH1A1THRBLGALS8LGALS3

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
EP-2949665-B1 GLYCOSYLATION ATRIAL NATRIURETIC PEPTIDE DAIICHI SANKYO CO LTD (JP) 2018-02-28 EP disclosed