SCHEMBL10868507

SCHEMBL10868507

CC(=O)N[C@H]1[C@@H](OC(=O)NCCO)O[C@H](CO)[C@H](O)[C@@H]1O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.57
▸ THRB P10828 1/20 0.57
▸ MAPK1 P28482 2/20 0.55
▸ CD69 Q07108 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ POLB P06746 1/20 0.45

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
SCHEMBL10869610 0.85 MAPK1 (0.54) ALDH1A1THRBMAPK1CD69SMN1; SMN2
SCHEMBL7155546 0.84 ALDH1A1 (0.65) ALDH1A1THRBMAPK1CD69SMN1; SMN2
SCHEMBL7155543 0.84 ALDH1A1 (0.65) ALDH1A1THRBMAPK1CD69SMN1; SMN2
Bromide SCHEMBL28686876 0.82 ALDH1A1 (0.64) ALDH1A1THRBMAPK1CD69SMN1; SMN2
SCHEMBL27603506 0.81 ALDH1A1 (0.66) ALDH1A1THRBMAPK1CD69SMN1; SMN2
SCHEMBL28285463 0.81 ALDH1A1 (0.62) ALDH1A1THRBMAPK1CD69SMN1; SMN2
SCHEMBL10868499 0.81 ALDH1A1 (0.62) ALDH1A1THRBMAPK1CD69SMN1; SMN2
SCHEMBL24996997 0.79 ALDH1A1 (0.67) ALDH1A1THRBMAPK1CD69SMN1; SMN2
SCHEMBL24943853 0.79 ALDH1A1 (0.67) ALDH1A1THRBMAPK1CD69SMN1; SMN2
SCHEMBL23705217 0.79 ALDH1A1 (0.67) ALDH1A1THRBMAPK1CD69SMN1; SMN2

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-0176913-A2 Glycourethane derivatives, methods for their preparation and their use BEHRINGWERKE Aktiengesellschaft (DE) 1986-04-09 — — EP disclosed
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