SCHEMBL9009735

SCHEMBL9009735

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

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 7/20 0.66
LGALS9 O00182 6/20 0.66
LGALS1 P09382 6/20 0.66
LGALS7; LGALS7B P47929 5/20 0.66
LGALS8 O00214 3/20 0.50
HK1 P19367 2/20 0.48
HK2 P52789 2/20 0.48
MAOB P27338 1/20 0.47
LGALS4 P56470 1/20 0.43
SELP P16109 3/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL11380069 1.00 LGALS3 (0.66) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL30649267 1.00 LGALS3 (0.66) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL8762532 1.00 LGALS3 (0.66) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL30649293 1.00 LGALS3 (0.66) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL15531572 1.00 LGALS3 (0.66) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL13211174 0.91 LGALS3 (0.70) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL26102195 0.91 LGALS3 (0.70) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL12482435 0.90 LGALS3 (0.76) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL10802114 0.90 LGALS3 (0.64) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL7744292 0.88 LGALS3 (0.61) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0739333-A1 SELECTIVE ASYMMETRIC HYDROGENATION OF DEHYDROAMINO ACID DERIVATIVES USING RHODIUM AND IRIDIUM DIPHOSPHINITE CARBOHYDRATE CATALYST COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-10-30 EP disclosed
WO-1995018787-A1 SELECTIVE ASYMMETRIC HYDROGENATION OF DEHYDROAMINO ACID DERIVATIVES USING RHODIUM AND IRIDIUM DIPHOSPHINITE CARBOHYDRATE CATALYST COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-07-13 WO disclosed
US-4256646-A Synthesis of optically pure thromboxanes THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1981-03-17 US disclosed