SCHEMBL13764484

SCHEMBL13764484

COc1ccc(CCc2coc3cc(C)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c23)cc1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 14/20 0.70
▸ SLC5A1 P13866 11/20 0.70
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ IL2 P60568 1/20 0.50
▸ ACHE P22303 1/20 0.48

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
SCHEMBL1729084 0.92 SLC5A2 (0.59) SLC5A2SLC5A1ACHE
SCHEMBL13764485 0.90 SLC5A2 (0.58) SLC5A2SLC5A1NPC1RAB9A
SCHEMBL13764481 0.90 SLC5A2 (0.56) SLC5A2SLC5A1
SCHEMBL1728328 0.87 SLC5A2 (0.69) SLC5A2SLC5A1NPC1RAB9AIL2
SCHEMBL1728347 0.86 SLC5A1 (0.54) SLC5A2SLC5A1NPC1RAB9AIL2
SCHEMBL13110378 0.83 SLC5A2 (1.00) SLC5A2SLC5A1
SCHEMBL1728250 0.81 SLC5A2 (0.60) SLC5A2SLC5A1
SCHEMBL13764480 0.80 SLC5A2 (0.57) SLC5A2SLC5A1NPC1RAB9AIL2
SCHEMBL1727955 0.79 SLC28A3 (0.52) SLC5A2SLC5A1NPC1RAB9A
SCHEMBL2700557 0.79 SLC5A2 (0.53) SLC5A2SLC5A1

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-7566699-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-07-28 — — US disclosed
US-7566699-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-07-28 — — US disclosed
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