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SCHEMBL14064224

SCHEMBL14064224

COc1ccc(C(OC[C@H]2O[C@@H](C)CC2OP(OCCOP(OC2C[C@H](C)O[C@@H]2COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)N(C(C)C)C(C)C)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 1/20 0.34
▸ SLC6A1 P30531 2/20 0.33
▸ SLC6A11 P48066 1/20 0.33

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
SCHEMBL12056703 0.94 TYMP (0.32) TYMPSLC6A1SLC6A11
SCHEMBL14064222 0.93 TYMP (0.31) TYMP
SCHEMBL12765859 0.93 TYMP (0.32) TYMPSLC6A1SLC6A11
SCHEMBL13329991 0.93 TYMP (0.32) TYMPSLC6A1SLC6A11
SCHEMBL13374809 0.93 TYMP (0.32) TYMPSLC6A1SLC6A11
SCHEMBL12056704 0.87 NQO2 (0.32) TYMPSLC6A1SLC6A11
SCHEMBL24829632 0.83 TYMP (0.32) TYMPSLC6A1SLC6A11
SCHEMBL25747161 0.83 TYMP (0.32) TYMPSLC6A1SLC6A11
SCHEMBL14005196 0.82 TYMP (0.31) TYMP
SCHEMBL12765857 0.81 — —

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-7427675-B2 Compounds and methods for the characterization of oligonucleotides ISIS PHARMACEUTICALS, INC. (US) 2008-09-23 — — US disclosed
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