SCHEMBL11175481

SCHEMBL11175481

O=C(OC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LGALS9 O00182 2/20 0.54
LGALS1 P09382 2/20 0.54
LGALS3 P17931 2/20 0.54
LGALS7; LGALS7B P47929 2/20 0.54
ALDH1A1 P00352 3/20 0.49
MAOB P27338 1/20 0.49
HK1 P19367 2/20 0.47
HK2 P52789 2/20 0.47
HTT P42858 1/20 0.47
TYMP P19971 1/20 0.46
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL11175487 1.00 LGALS9 (0.54) LGALS9LGALS1LGALS3LGALS7; LGALS7BALDH1A1
SCHEMBL27988153 0.98 LGALS9 (0.53) LGALS9LGALS1LGALS3LGALS7; LGALS7BALDH1A1
SCHEMBL6273372 0.94 ALDH1A1 (0.53) LGALS9LGALS1LGALS3LGALS7; LGALS7BALDH1A1
SCHEMBL6273371 0.94 ALDH1A1 (0.53) LGALS9LGALS1LGALS3LGALS7; LGALS7BALDH1A1
SCHEMBL10572764 0.89 ALDH1A1 (0.52) LGALS9LGALS1LGALS3LGALS7; LGALS7BALDH1A1
SCHEMBL10572757 0.89 ALDH1A1 (0.52) LGALS9LGALS1LGALS3LGALS7; LGALS7BALDH1A1
SCHEMBL26455064 0.88 ALDH1A1 (0.49) LGALS9LGALS1LGALS3LGALS7; LGALS7BALDH1A1
SCHEMBL9245472 0.88 ALDH1A1 (0.49) LGALS9LGALS1LGALS3LGALS7; LGALS7BALDH1A1
SCHEMBL9245476 0.88 ALDH1A1 (0.49) LGALS9LGALS1LGALS3LGALS7; LGALS7BALDH1A1
SCHEMBL20149722 0.88 LGALS3 (0.65) LGALS9LGALS1LGALS3LGALS7; LGALS7BALDH1A1

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
US-4378369-A HYPOGLYCEMIC, ANTIDIABETIC SANDOZ, INC. (US) 1983-03-29 US claimed
US-4378369-A HYPOGLYCEMIC, ANTIDIABETIC SANDOZ, INC. (US) 1983-03-29 US disclosed