SCHEMBL5201335

SCHEMBL5201335

COc1ccc(C(OC[C@H]2O[C@@](C(=O)c3ccccc3)(n3ccc(N)nc3=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYMP P19971 7/20 0.42
SLC6A11 P48066 5/20 0.35
SLC6A1 P30531 2/20 0.35
ST6GAL1 P15907 1/20 0.33
BACE1 P56817 1/20 0.33
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC6A12 P48065 1/20 0.31
SLC6A13 Q9NSD5 1/20 0.31

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
SCHEMBL16401939 0.90 TYMP (0.42) TYMPSLC6A11SLC6A1
SCHEMBL30514382 0.82 TYMP (0.42) TYMPSLC6A11SLC6A1ST6GAL1BACE1
SCHEMBL29720484 0.82 CYP3A4 (0.35) ST6GAL1CYP3A4
SCHEMBL4971197 0.80 PDE3A (0.41) ST6GAL1
SCHEMBL6835021 0.79 TYMP (0.39) TYMPSLC6A11SLC6A1ST6GAL1BACE1
SCHEMBL7079295 0.78 TYMP (0.37) TYMPSLC6A11SLC6A1ST6GAL1BACE1
SCHEMBL7175441 0.77 TYMP (0.38) TYMPST6GAL1
SCHEMBL23648799 0.76 PDE3A (0.36) TYMP
SCHEMBL6885492 0.76 POLB (0.53) TYMP
SCHEMBL6885494 0.76 POLB (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1369424-B1 Method for purifying protected 2'-deoxycytidines MITSUI CHEMICALS INC (JP) 2007-08-15 EP disclosed
EP-1369424-A1 Method for purifying protected 2'-deoxycytidines Mitsui Chemicals, Inc. (JP) 2003-12-10 EP disclosed