SCHEMBL9614875

SCHEMBL9614875

CO[C@H]1O[C@H](CO)[C@H](O)[C@@](O)([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2NC(C)=O)[C@H]1O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
THRB P10828 1/20 0.50
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.45
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CD69 Q07108 1/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL9697583 1.00 ALDH1A1 (0.50) ALDH1A1THRBMAPK1SMN1; SMN2POLB
SCHEMBL6013490 0.85 LGALS3 (0.47) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL11198537 0.81 ALDH1A1 (0.42) ALDH1A1THRBMAPK1SMN1; SMN2POLB
SCHEMBL9268309 0.81 MEN1 (0.42) POLB
SCHEMBL23705217 0.81 ALDH1A1 (0.67) ALDH1A1THRBMAPK1SMN1; SMN2POLB
SCHEMBL24943853 0.81 ALDH1A1 (0.67) ALDH1A1THRBMAPK1SMN1; SMN2POLB
SCHEMBL22606183 0.81 ALDH1A1 (0.67) ALDH1A1THRBMAPK1SMN1; SMN2POLB
SCHEMBL24916742 0.81 ALDH1A1 (0.67) ALDH1A1THRBMAPK1SMN1; SMN2POLB
SCHEMBL21415435 0.81 ALDH1A1 (0.67) ALDH1A1THRBMAPK1SMN1; SMN2POLB
SCHEMBL22596723 0.81 ALDH1A1 (0.67) ALDH1A1THRBMAPK1SMN1; SMN2POLB

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
EP-0487607-A1 PROCESS FOR PRODUCING AN OLIGOSACCHARIDE COMPOUND BY USING GLYCOSIDASES FROM A MOLLUSC. PROCUR AB (SE) 1992-06-03 EP disclosed
WO-1992003122-A1 PREPARATION FOR APPLICATION OF ACTIVE SUBSTANCES IN THE FORM OF MINIMUM-SIZED DROPLETS CEVC GREGOR (DE) 1992-03-05 WO disclosed