SCHEMBL8124475

SCHEMBL8124475

OC[C@H]1NC(c2ccc(Cl)cc2)[C@H](O)[C@@H]1O

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 7/20 0.72
▸ GLA P06280 3/20 0.45
▸ AGL P35573 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ GBA2 Q9HCG7 1/20 0.45
▸ GBA1 P04062 1/20 0.45
▸ FUCA1 P04066 4/20 0.43
▸ GANC Q8TET4 2/20 0.43
▸ PNP P00491 3/20 0.40

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
Radicamine B SCHEMBL2439078 0.84 MGAM (1.00) MGAMGLAAGLGAAGBA2
Radicamine B SCHEMBL13848027 0.84 MGAM (1.00) MGAMGLAAGLGAAGBA2
Radicamine B SCHEMBL8118948 0.84 MGAM (1.00) MGAMGLAAGLGAAGBA2
SCHEMBL19258270 0.83 MGAM (0.73) MGAMGLAAGLGAAGBA2
SCHEMBL13538449 0.83 MGAM (0.73) MGAMGLAAGLGAAGBA2
SCHEMBL17622803 0.83 MGAM (0.73) MGAMGLAAGLGAAGBA2
SCHEMBL8124155 0.82 MGAM (0.72) MGAMGLAAGLGAAGBA2
SCHEMBL9789772 0.81 MGAM (0.71) MGAMGLAAGLGAAGBA2
Ammonia Solution, Strong SCHEMBL8108711 0.77 MGAM (0.64) MGAMGLAAGLGAAGBA2
SCHEMBL8119256 0.76 MGAM (0.62) MGAMGLAAGLGAAGBA2

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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