SCHEMBL4664909

SCHEMBL4664909

Nc1ccn([C@]2(C(=O)OCc3ccccc3)O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
THRB P10828 1/20 0.44
MTOR P42345 1/20 0.44
MDM2 Q00987 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
PDE4D Q08499 1/20 0.42
PDE3A Q14432 1/20 0.42
SLC29A1 Q99808 1/20 0.42
CYP1A2 P05177 1/20 0.38
ADORA2A P29274 2/20 0.36
ADORA2B P29275 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LGALS8 O00214 1/20 0.35
ST6GAL1 P15907 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL31143276 0.87 P2RY2 (0.41) ST6GAL1
SCHEMBL9667470 0.87 PDE3A (0.44) LMNATHRBMTORMDM2NCOA1
SCHEMBL31544836 0.85 POLB (0.38) POLBLGALS8
SCHEMBL9144955 0.84 PDE3A (0.42) LMNATHRBMTORMDM2NCOA1
SCHEMBL26666720 0.84 LMNA (0.49) LMNATHRBMTORMDM2NCOA1
SCHEMBL441998 0.84 PDE3A (0.45) LMNATHRBMTORMDM2NCOA1
SCHEMBL8426900 0.83 PDE3A (0.41) LMNATHRBMTORMDM2NCOA1
SCHEMBL30514303 0.83 LMNA (0.50) LMNATHRBMTORMDM2NCOA1
SCHEMBL2497496 0.83 PDE4D (0.41) LMNATHRBMTORMDM2NCOA1
SCHEMBL7905140 0.82 PDE4D (0.42) LMNATHRBMTORMDM2NCOA1

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-1915053-A2 NOVEL 2'-C-METHYL AND 4'-C-METHYL NUCLEOSIDE DERIVATIVES Merck & Co., Inc. (US) 2008-04-30 EP disclosed
WO-2007022073-A2 NOVEL 2'-C-METHYL AND 4'-C-METHYL NUCLEOSIDE DERIVATIVES MERCK & CO., INC. (US) 2007-02-22 WO disclosed