SCHEMBL7079295

SCHEMBL7079295

COc1ccc(C(OC[C@H]2O[C@@](C(=O)c3ccccc3)(n3ccc(N)nc3=O)[C@H](OC3CCCO3)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYMP P19971 3/20 0.37
SLC6A11 P48066 7/20 0.35
SLC6A1 P30531 3/20 0.35
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SLC6A12 P48065 2/20 0.32
BACE1 P56817 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
SLC6A13 Q9NSD5 1/20 0.32
ST6GAL1 P15907 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL30514382 0.89 TYMP (0.42) TYMPSLC6A11SLC6A1BACE1ST6GAL1
SCHEMBL6835021 0.86 TYMP (0.39) TYMPSLC6A11SLC6A1BACE1ST6GAL1
SCHEMBL7175441 0.83 TYMP (0.38) TYMPST6GAL1
SCHEMBL5201335 0.78 TYMP (0.42) TYMPSLC6A11SLC6A1KMT2AMEN1
SCHEMBL17223095 0.75 TYMP (0.41) TYMPSLC6A11SLC6A1
SCHEMBL31629449 0.73 PDE4D (0.41) ALDH1A1BACE1ST6GAL1SMN1; SMN2
SCHEMBL16401939 0.72 TYMP (0.42) TYMPSLC6A11SLC6A1
SCHEMBL5930407 0.71 TYMP (0.47) TYMPSLC6A11SLC6A1ST6GAL1
SCHEMBL5930409 0.71 TYMP (0.47) TYMPSLC6A11SLC6A1ST6GAL1
SCHEMBL5318029 0.71 BACE1 (0.36) TYMPKMT2AALDH1A1BACE1ST6GAL1

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
WO-2003059926-A2 METHODS AND COMPOSITIONS FOR AMINOACYL-tRNA SYNTHESIS UNIVERSITY OF MASSACHUSETTS (US) 2003-07-24 WO disclosed