SCHEMBL8733913

SCHEMBL8733913

O=C(O[C@@H]1[C@@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H]1O)c1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 6/20 0.61
▸ TYR P14679 1/20 0.53
▸ LGALS9 O00182 4/20 0.53
▸ LGALS1 P09382 4/20 0.53
▸ LGALS3 P17931 4/20 0.53
▸ LGALS7; LGALS7B P47929 3/20 0.52
▸ LGALS8 O00214 1/20 0.47
▸ SLC5A1 P13866 1/20 0.45
▸ SLC5A2 P31639 1/20 0.45
▸ EPHX2 P34913 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
SCHEMBL7528900 0.89 LGALS9 (0.66) HSP90AA1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL15711517 0.87 TYR (0.61) HSP90AA1TYRSLC5A1SLC5A2
SCHEMBL29161024 0.87 TYR (0.61) HSP90AA1TYRSLC5A1SLC5A2
SCHEMBL467820 0.87 TYR (0.61) HSP90AA1TYRSLC5A1SLC5A2
Trehalose SCHEMBL8733912 0.83 TYR (0.59) HSP90AA1TYRSLC5A1SLC5A2
SCHEMBL7528893 0.81 LGALS9 (0.59) HSP90AA1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL27510704 0.81 TYR (0.51) TYRLGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL7476665 0.81 LGALS9 (0.58) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL29220981 0.78 LGALS8 (0.62) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL4103172 0.77 LGALS8 (0.52) LGALS3LGALS8

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-0839190-A1 Processes for the production of amidase Ciba Specialty Chemicals Water Treatments Limited (GB) 1998-05-06 — — EP disclosed
WO-1997006248-A1 PROCESSES FOR THE PRODUCTION OF AMIDASE ALLIED COLLOIDS LIMITED (GB) 1997-02-20 — — WO disclosed
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