SCHEMBL4666818

SCHEMBL4666818

CCOC(=O)CCC(=O)[C@@]1(n2ccc(N)nc2=O)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.41
PDE3A Q14432 1/20 0.41
SLC29A1 Q99808 1/20 0.41
LMNA P02545 2/20 0.41
THRB P10828 1/20 0.41
MTOR P42345 1/20 0.41
MDM2 Q00987 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
EP300 Q09472 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
POLA1 P09884 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
SCHEMBL6060509 0.88 PDE3A (0.45) PDE4DPDE3ASLC29A1LMNATHRB
SCHEMBL9667470 0.87 PDE3A (0.44) PDE4DPDE3ASLC29A1LMNATHRB
SCHEMBL31305353 0.85 PDE3A (0.42) PDE4DPDE3ASLC29A1LMNATHRB
SCHEMBL1403455 0.85 PDE3A (0.42) PDE4DPDE3ASLC29A1LMNATHRB
SCHEMBL9047407 0.85 PDE3A (0.42) PDE4DPDE3ASLC29A1LMNATHRB
SCHEMBL236109 0.82 PDE3A (0.48) PDE4DPDE3ASLC29A1LMNATHRB
SCHEMBL29860821 0.82 PDE3A (0.43) PDE4DPDE3ASLC29A1LMNATHRB
SCHEMBL30514303 0.81 LMNA (0.50) PDE4DPDE3ASLC29A1LMNATHRB
SCHEMBL331769 0.81 LMNA (0.49) PDE4DPDE3ASLC29A1LMNATHRB
SCHEMBL26666720 0.81 LMNA (0.49) PDE4DPDE3ASLC29A1LMNATHRB

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