SCHEMBL384131

SCHEMBL384131

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ST6GAL1 P15907 6/20 0.39
NT5E P21589 1/20 0.39
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
MTOR P42345 1/20 0.38
MDM2 Q00987 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
TYMP P19971 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 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
SCHEMBL17599881 0.89 ST6GAL1 (0.40) ST6GAL1NT5ELMNATHRBMTOR
SCHEMBL17599856 0.88 ST6GAL1 (0.42) ST6GAL1NT5ELMNATHRBMTOR
SCHEMBL383446 0.84 PDE4D (0.46) ST6GAL1NT5ELMNATHRBMTOR
SCHEMBL3793139 0.83 PDE4D (0.40) ST6GAL1NT5ELMNATHRBMTOR
SCHEMBL5150771 0.82 NT5E (0.51) ST6GAL1NT5ELMNATHRBMTOR
SCHEMBL26647620 0.82 TYMP (0.54) ST6GAL1NT5ELMNATHRBMTOR
SCHEMBL1318619 0.82 NT5E (0.45) ST6GAL1NT5ELMNATHRBMTOR
SCHEMBL1317526 0.82 NT5E (0.45) ST6GAL1NT5ELMNATHRBMTOR
SCHEMBL5318031 0.81 ST6GAL1 (0.45) ST6GAL1NT5ELMNATHRBMTOR
SCHEMBL4458009 0.78 ST6GAL1 (0.42) ST6GAL1NT5ELMNATHRBMTOR

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-2408306-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS Alios Biopharma, Inc. (US) 2012-01-25 EP disclosed
WO-2010108140-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-23 WO disclosed