SCHEMBL4747644

SCHEMBL4747644

C[Si](C)(C)CC(=O)[C@@]1(n2ccc(N)nc2=O)O[C@H](CO)[C@@H](O)C1(F)F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 3/20 0.47
PDE4D Q08499 1/20 0.47
SLC29A1 Q99808 1/20 0.47
LMNA P02545 4/20 0.42
THRB P10828 1/20 0.42
MTOR P42345 1/20 0.42
MDM2 Q00987 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
POLA1 P09884 1/20 0.35
CACNA1F O60840 2/20 0.34
ALB P02768 2/20 0.34
MAPT P10636 2/20 0.34
CACNA1D Q01668 2/20 0.34
CACNA1S Q13698 2/20 0.34
CACNA1C Q13936 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL29597277 0.87 PDE3A (0.44) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL29479249 0.83 PDE3A (0.44) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL30568783 0.83 PDE3A (0.44) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL16372103 0.82 PDE3A (0.46) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL31189348 0.81 PDE3A (0.48) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL10615248 0.80 PDE3A (0.44) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL31190164 0.79 PDE4D (0.43) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL4750195 0.79 PDE3A (0.51) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL587469 0.79 PDE3A (0.53) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL587470 0.79 PDE3A (0.53) PDE3APDE4DSLC29A1LMNATHRB

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-2008129530-A1 GEMCITABINE PRODUCTION PROCESS CHEMAGIS LTD. (IL) 2008-10-30 WO disclosed