SCHEMBL16495744

SCHEMBL16495744

COc1ccc(C(OC[C@H]2O[C@@H](On3cccnc3=O)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 15/20 0.55
▸ ADORA1 P30542 2/20 0.37
▸ SLC6A1 P30531 2/20 0.35
▸ SLC6A11 P48066 1/20 0.35

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
SCHEMBL21586639 0.84 TYMP (0.66) TYMPADORA1
SCHEMBL17968545 0.80 TYMP (0.61) TYMPADORA1
SCHEMBL17729103 0.77 TYMP (0.49) TYMP
SCHEMBL17766490 0.77 TYMP (0.49) TYMP
SCHEMBL3068469 0.76 TYMP (0.42) TYMP
SCHEMBL5710025 0.76 TYMP (0.62) TYMP
SCHEMBL23778466 0.76 TYMP (0.54) TYMPSLC6A1SLC6A11
SCHEMBL29053753 0.76 TYMP (0.54) TYMPSLC6A1SLC6A11
SCHEMBL29053752 0.76 TYMP (0.54) TYMPSLC6A1SLC6A11
SCHEMBL22577537 0.76 TYMP (0.60) TYMPADORA1

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
US-20110300142-A1 USE OF ZEBURALINE FOR THE TREATMENT OF AUTOIMMUNE DISEASES OR IMMUNE REJECTION OF TRANSPLANTS IDOGEN AB (SE) 2011-12-08 — — US disclosed
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