SCHEMBL3789736

SCHEMBL3789736

CCC(O)[C@H]1O[C@](n2ccc(N)nc2=O)(C(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)[C@@](O)(C(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)[C@@H]1O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.31
ST6GAL1 P15907 1/20 0.31
TYMP P19971 1/20 0.31
KIF11 P52732 3/20 0.31
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
MTOR P42345 1/20 0.30
MDM2 Q00987 1/20 0.30
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30

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
SCHEMBL384130 0.76 PDE4D (0.39) TYMPKIF11LMNATHRBMTOR
SCHEMBL3793142 0.74 PDE4D (0.37) TYMPLMNATHRBMTORMDM2
SCHEMBL23648799 0.73 PDE3A (0.36) TYMPKIF11LMNATHRBMTOR
SCHEMBL28280335 0.73 BACE1 (0.32) TYMPKIF11
SCHEMBL383850 0.72 L3MBTL1 (0.31) ST6GAL1TYMP
SCHEMBL1739169 0.72 PDE3A (0.32) TYMPKIF11LMNATHRBMTOR
SCHEMBL9083312 0.70 PDE3A (0.39) ST6GAL1LMNATHRBMTORMDM2
SCHEMBL5318029 0.70 BACE1 (0.36) NT5EST6GAL1TYMPKIF11
SCHEMBL2474292 0.70
SCHEMBL2474312 0.69

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-2010108140-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-23 WO disclosed