SCHEMBL9482186

SCHEMBL9482186

COc1cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1C=O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.56
CA12 O43570 4/20 0.54
CA9 Q16790 4/20 0.54
CA1 P00915 3/20 0.54
CA2 P00918 1/20 0.54
SNCA P37840 1/20 0.54
TYR P14679 3/20 0.54
PTGS1 P23219 2/20 0.54
SLC5A1 P13866 1/20 0.54
SLC5A2 P31639 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
CA7 P43166 1/20 0.53
CA13 Q8N1Q1 1/20 0.53
IL2 P60568 1/20 0.52

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
SCHEMBL9482204 1.00 ACHE (0.56) ACHECA12CA9CA1CA2
SCHEMBL5597588 0.85 ACHE (0.70) ACHECA12CA9CA1SNCA
SCHEMBL29360789 0.85 ACHE (0.70) ACHECA12CA9CA1SNCA
SCHEMBL3353611 0.85 ACHE (0.70) ACHECA12CA9CA1SNCA
Tachioside SCHEMBL13577078 0.83 POLB (0.63) ACHECA12CA9CA1TYR
Tachioside SCHEMBL9576060 0.83 POLB (0.63) ACHECA12CA9CA1TYR
Tachioside SCHEMBL13576891 0.83 POLB (0.63) ACHECA12CA9CA1TYR
Tachioside SCHEMBL14884668 0.83 POLB (0.63) ACHECA12CA9CA1TYR
SCHEMBL28414974 0.83 CA12 (0.53) CA12CA9CA1CA2TYR
SCHEMBL988823 0.81 TYR (0.59) TYRSLC5A1SLC5A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5221606-A REAGENT AND KIT FOR ENZYME ASSAY COMPRISING A SUBSTRATE CONSONANT WITH GIVEN ENZYME TO BE ASSAYED KING'S COLLEGE LONDON (GB) 1993-06-22 US disclosed
EP-0375723-A1 SUBSTRATES FOR THE ASSAY OF ENZYMES. KING S COLLEGE LONDON (GB) 1990-07-04 EP disclosed
WO-1989002473-A1 SUBSTRATES FOR THE ASSAY OF ENZYMES KING'S COLLEGE LONDON (GB) 1989-03-23 WO disclosed