SCHEMBL7028773

SCHEMBL7028773

O=C(O)COc1cccc(Cc2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 5/20 0.54
▸ SLC5A1 P13866 4/20 0.54
▸ TYR P14679 1/20 0.48
▸ SELP P16109 2/20 0.48
▸ SELPLG Q14242 1/20 0.48
▸ SLC28A3 Q9HAS3 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46

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
SCHEMBL7028761 1.00 SLC5A2 (0.54) SLC5A2SLC5A1TYRSELPSELPLG
SCHEMBL7033566 0.95 SLC5A2 (0.56) SLC5A2SLC5A1TYRSELPSELPLG
SCHEMBL7033574 0.95 SLC5A2 (0.56) SLC5A2SLC5A1TYRSELPSELPLG
SCHEMBL7033407 0.86 TYR (0.49) SLC5A2SLC5A1TYRNPC1RAB9A
SCHEMBL7036101 0.86 TYR (0.49) SLC5A2SLC5A1TYRNPC1RAB9A
SCHEMBL14120495 0.85 SELP (0.62) TYRSELPSELPLGSLC28A3NPC1
SCHEMBL14120492 0.85 SELP (0.62) TYRSELPSELPLGSLC28A3NPC1
SCHEMBL13272303 0.84 TYR (0.50) TYR
SCHEMBL7038463 0.82 SLC28A3 (0.47) SLC5A2SLC5A1TYRSLC28A3NPC1
SCHEMBL987985 0.81 ACHE (0.61) TYRSLC28A3

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
EP-0758243-B1 BINDING OF E-SELECTIN, P-SELECTIN OR L-SELECTIN TO SIALYL-LEWISx OR SIALYL-LEWISa TEXAS BIOTECHNOLOGY CORP (US) 2003-03-12 — — EP disclosed
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