SCHEMBL13075407

SCHEMBL13075407

CCc1ccc(CC(=O)OC2OC(CO)C(O)C(O)C2O)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 12/20 0.51
▸ SLC5A1 P13866 5/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ACHE P22303 1/20 0.46
▸ SLC28A3 Q9HAS3 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ TYR P14679 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
SCHEMBL12456871 0.82 SLC5A1 (0.50) SLC5A2SLC5A1NPC1RAB9ASLC28A3
SCHEMBL13921313 0.81 TYR (0.57) SLC5A2SLC5A1NPC1RAB9ATYR
SCHEMBL9507333 0.78 PYGB (0.53) SLC28A3
SCHEMBL7215928 0.78 PYGB (0.53) SLC28A3
SCHEMBL17080338 0.78 L3MBTL1 (0.46) SLC28A3TYR
SCHEMBL27775938 0.78 L3MBTL1 (0.46) SLC28A3TYR
SCHEMBL16934775 0.78 L3MBTL1 (0.46) SLC28A3TYR
SCHEMBL28909059 0.78 L3MBTL1 (0.46) SLC28A3TYR
SCHEMBL5032748 0.78 TYR (0.71) SLC5A2SLC5A1ACHETYR
SCHEMBL14120404 0.78 TYR (0.71) SLC5A2SLC5A1ACHETYR

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
WO-2010127363-A1 TOPOSIOMERASE INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 — — WO disclosed
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