SCHEMBL6553105

SCHEMBL6553105

COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)n(COCc4ccccc4)c3=O)C[C@@]2(O)C(OC)OC)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.33
SLC6A1 P30531 2/20 0.32
SLC6A11 P48066 1/20 0.32
PRKDC P78527 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL6365230 0.90 TYMP (0.31) TYMPSLC6A1SLC6A11PRKDC
SCHEMBL6364693 0.89 TYMP (0.34) TYMPSLC6A1SLC6A11PRKDCOPRM1
SCHEMBL6553111 0.86 TYMP (0.32) TYMPSLC6A1SLC6A11
SCHEMBL6365233 0.83 TYMP (0.31) TYMP
SCHEMBL6365705 0.80 TYMP (0.35) TYMPSLC6A1SLC6A11
SCHEMBL6363661 0.73 ALDH1A1 (0.34)
SCHEMBL29770565 0.72 PRKDC (0.30) PRKDC
SCHEMBL23244001 0.71 TYMP (0.33) TYMP
SCHEMBL23069387 0.71 TYMP (0.32) TYMP
SCHEMBL6830770 0.70 TK2 (0.43) TYMP

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
EP-1486504-A1 NUCLEOSIDE ANALOGUES WHOSE SUGAR MOIETIES ARE BOUND IN S-FORM AND OLIGONUCLEOTIDE DERIVATIVES COMPRISING NUCLEOTIDE ANALOGUES THEREOF Imanishi, Takeshi (JP) 2004-12-15 EP disclosed