SCHEMBL8119256

SCHEMBL8119256

O=[N+]([O-])c1ccc([C@@H]2N[C@H](CO)[C@@H](O)[C@H]2O)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 2/20 0.62
▸ LMNA P02545 2/20 0.48
▸ RECQL P46063 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ TSHR P16473 1/20 0.40
▸ GBA1 P04062 3/20 0.39
▸ PNP P00491 6/20 0.39
▸ AGL P35573 2/20 0.38
▸ GBA2 Q9HCG7 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ GLA P06280 1/20 0.38

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
SCHEMBL8119254 1.00 MGAM (0.62) MGAMLMNARECQLALDH1A1POLB
SCHEMBL8124755 0.84 MGAM (0.50) MGAMLMNAALDH1A1POLBTSHR
Radicamine B SCHEMBL2439078 0.77 MGAM (1.00) MGAMGBA1PNPAGLGBA2
Radicamine B SCHEMBL13848027 0.77 MGAM (1.00) MGAMGBA1PNPAGLGBA2
Radicamine B SCHEMBL8118948 0.77 MGAM (1.00) MGAMGBA1PNPAGLGBA2
SCHEMBL13538449 0.77 MGAM (0.73) MGAMGBA1AGLGBA2GAA
SCHEMBL19258270 0.77 MGAM (0.73) MGAMGBA1AGLGBA2GAA
SCHEMBL8124155 0.76 MGAM (0.72) MGAMGBA1AGLGBA2GAA
SCHEMBL8124475 0.76 MGAM (0.72) MGAMGBA1PNPAGLGBA2
SCHEMBL9789772 0.75 MGAM (0.71) MGAMGBA1AGLGBA2GAA

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-6121296-A ADMINISTERING TO TREAT PARASITIC INFECTION OR DISEASE OR TO TREAT INFECTIONS AND DISEASES CAUSED BY CERTAIN BACTERIAL AND PLANT TOXINS; COMPOUNDS SUCH AS SALT OF 2-PHENYL-3,4-DIHYDROXY-5-HYDROXYMETHYL-PYRROLIDINE ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2000-09-19 — — US disclosed
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