SCHEMBL8398761

SCHEMBL8398761

CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](OCc2ccccc2)[C@@H]1N1C(=O)c2ccccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LGALS8 O00214 2/20 0.52
▸ LGALS3 P17931 9/20 0.51
▸ OGA O60502 3/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ BCHE P06276 1/20 0.43
▸ LGALS4 P56470 1/20 0.41
▸ LGALS9 O00182 1/20 0.41
▸ PTPN1 P18031 1/20 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
SCHEMBL8398753 1.00 LGALS8 (0.52) LGALS8LGALS3OGASLC6A2BCHE
SCHEMBL3628589 0.88 LGALS3 (0.51) LGALS8LGALS3SLC6A2
SCHEMBL3628586 0.88 LGALS3 (0.51) LGALS8LGALS3SLC6A2
SCHEMBL4174806 0.87 LGALS3 (0.49) LGALS8LGALS3SLC6A2LGALS4LGALS9
SCHEMBL4174790 0.87 LGALS3 (0.49) LGALS8LGALS3SLC6A2LGALS4LGALS9
SCHEMBL9332545 0.84 LGALS3 (0.52) LGALS8LGALS3OGASLC6A2PTPN1
SCHEMBL2307564 0.84 LGALS3 (0.52) LGALS8LGALS3OGASLC6A2PTPN1
SCHEMBL2307547 0.84 LGALS3 (0.52) LGALS8LGALS3OGASLC6A2PTPN1
SCHEMBL2312267 0.84 LGALS3 (0.50) LGALS3SLC6A2BCHEPTPN1
SCHEMBL22542460 0.83 OGA (0.53) LGALS8LGALS3OGALGALS4LGALS9

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-5972907-A USEFUL IN THE TREATMENT OF INFLAMMATION, ALLERGIC REACTIONS, AUTOIMMUNE DISEASES, CANCER, AND SIMILAR OTHER CONDITIONS THAT ARE CELL ADHESION-DEPENDENT HEALTH RESEARCH, INC. (US) 1999-10-26 — — US disclosed
EP-0919563-A2 Synthetic Core 2-Like Branched Structures as Ligands for Selectins HEALTH RESEARCH, INC. (US) 1999-06-02 — — EP disclosed
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