SCHEMBL7079293

SCHEMBL7079293

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ST6GAL1 P15907 7/20 0.38
NT5E P21589 1/20 0.33
TYMP P19971 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
MTOR P42345 1/20 0.32
MDM2 Q00987 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC6A1 P30531 2/20 0.31
SLC6A11 P48066 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
SCHEMBL4458009 0.89 ST6GAL1 (0.42) ST6GAL1NT5ETYMPLMNATHRB
SCHEMBL6835020 0.85 ST6GAL1 (0.43) ST6GAL1NT5ETYMPLMNATHRB
SCHEMBL17599856 0.84 ST6GAL1 (0.42) ST6GAL1NT5ETYMPLMNATHRB
SCHEMBL6362953 0.82 ST6GAL1 (0.39) ST6GAL1NT5ETYMPLMNATHRB
SCHEMBL5982374 0.80 ST6GAL1 (0.40) ST6GAL1NT5ETYMPLMNATHRB
SCHEMBL10693710 0.80 ST6GAL1 (0.38) ST6GAL1NT5ETYMPLMNATHRB
SCHEMBL5200171 0.79 POLB (0.40) ST6GAL1TYMPLMNATHRBMTOR
SCHEMBL1317526 0.79 NT5E (0.45) ST6GAL1NT5ETYMPLMNATHRB
SCHEMBL1318619 0.79 NT5E (0.45) ST6GAL1NT5ETYMPLMNATHRB
SCHEMBL381896 0.78 ST6GAL1 (0.38) ST6GAL1NT5ETYMPLMNATHRB

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