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SCHEMBL6894664

SCHEMBL6894664

CCCCCO[C@@H]1[C@H](O)[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@H]1n1cnc2c(NC(=O)c3ccccc3)ncnc21

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 8/20 0.54
▸ P2RY12 Q9H244 1/20 0.45
▸ ADORA1 P30542 1/20 0.44
▸ GAPDH P04406 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
SCHEMBL4464744 0.99 TYMP (0.53) TYMPP2RY12ADORA1GAPDH
SCHEMBL6898807 0.99 TYMP (0.55) TYMPP2RY12ADORA1
SCHEMBL6899475 0.95 TYMP (0.56) TYMPP2RY12ADORA1
SCHEMBL6900160 0.93 TYMP (0.56) TYMPP2RY12ADORA1
SCHEMBL30200670 0.93 TYMP (0.56) TYMPP2RY12ADORA1
SCHEMBL1040958 0.93 TYMP (0.56) TYMPP2RY12ADORA1
SCHEMBL6834984 0.93 TYMP (0.56) TYMPP2RY12ADORA1
SCHEMBL6896137 0.93 TYMP (0.53) TYMPP2RY12ADORA1
SCHEMBL13010052 0.91 TYMP (0.51) TYMPP2RY12GAPDH
SCHEMBL6223188 0.91 TYMP (0.52) TYMPP2RY12ADORA1

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
EP-0604409-B1 OLIGONUCLEOTIDE ANALOGS FOR DETECTING AND MODULATING RNA ACTIVITY AND GENE EXPRESSION ISIS PHARMACEUTICALS INC (US) 2004-07-14 — — EP disclosed
EP-1418179-A2 Compositions and methods for detecting and modulating rna activity and gene expression ISIS PHARMACEUTICALS, INC. (US) 2004-05-12 — — EP disclosed