SCHEMBL4760169

SCHEMBL4760169

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ST6GAL1 P15907 10/20 0.36
NT5E P21589 1/20 0.34
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
MTOR P42345 1/20 0.33
MDM2 Q00987 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
TYMP P19971 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
SCHEMBL2107080 0.96 ST6GAL1 (0.36) ST6GAL1NT5ELMNATHRBMTOR
SCHEMBL15841376 0.95 ST6GAL1 (0.35) ST6GAL1NT5ELMNATHRBMTOR
SCHEMBL2216432 0.85 ST6GAL1 (0.36) ST6GAL1NT5ELMNATHRBMTOR
SCHEMBL1317526 0.84 NT5E (0.45) ST6GAL1NT5ELMNATHRBMTOR
SCHEMBL1318619 0.84 NT5E (0.45) ST6GAL1NT5ELMNATHRBMTOR
SCHEMBL1319027 0.84 ST6GAL1 (0.37) ST6GAL1NT5ELMNATHRBMTOR
SCHEMBL2108247 0.83 ST6GAL1 (0.31) ST6GAL1
SCHEMBL6835020 0.83 ST6GAL1 (0.43) ST6GAL1NT5ELMNATHRBMTOR
SCHEMBL381896 0.83 ST6GAL1 (0.38) ST6GAL1NT5ELMNATHRBMTOR
SCHEMBL15841537 0.82 ST6GAL1 (0.31) ST6GAL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1995253-B1 METHOD FOR DETACHING PROTECTING GROUP ON NUCLEIC ACID NIPPON SHINYAKU CO LTD (JP) 2016-12-21 EP disclosed
EP-1995252-A1 METHOD FOR REMOVAL OF NUCLEIC ACID-PROTECTING GROUP Nippon Shinyaku Co., Ltd. (JP) 2008-11-26 EP disclosed
EP-1995253-A1 METHOD FOR DETACHING PROTECTING GROUP ON NUCLEIC ACID Nippon Shinyaku Co., Ltd. (JP) 2008-11-26 EP disclosed