SCHEMBL9798561

SCHEMBL9798561

Nc1ccn([C@@H]2O[C@H](COC(=O)CCC(=O)O)C(O)C2(F)F)c(=O)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 3/20 0.66
PDE4D Q08499 1/20 0.66
SLC29A1 Q99808 1/20 0.66
POLA1 P09884 2/20 0.61
ITGB3 P05106 2/20 0.43
ITGAV P06756 2/20 0.43
LMNA P02545 3/20 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
POLB P06746 1/20 0.37
P2RY2 P41231 1/20 0.37
CACNA1F O60840 2/20 0.36
ALB P02768 2/20 0.36
MAPT P10636 2/20 0.36
CACNA1D Q01668 2/20 0.36
CACNA1S Q13698 2/20 0.36
CACNA1C Q13936 2/20 0.36

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
SCHEMBL9798551 1.00 PDE3A (0.66) PDE3APDE4DSLC29A1POLA1ITGB3
SCHEMBL23724058 1.00 PDE3A (0.66) PDE3APDE4DSLC29A1POLA1ITGB3
SCHEMBL13160992 0.94 PDE3A (0.63) PDE3APDE4DSLC29A1POLA1ITGB3
SCHEMBL21849039 0.94 PDE3A (0.63) PDE3APDE4DSLC29A1POLA1ITGB3
SCHEMBL24703970 0.94 PDE3A (0.63) PDE3APDE4DSLC29A1POLA1ITGB3
SCHEMBL24703971 0.94 PDE3A (0.63) PDE3APDE4DSLC29A1POLA1ITGB3
SCHEMBL17770788 0.93 PDE3A (0.62) PDE3APDE4DSLC29A1POLA1ITGB3
SCHEMBL4939566 0.91 PDE3A (0.64) PDE3APDE4DSLC29A1POLA1ITGB3
SCHEMBL4931963 0.90 PDE3A (0.62) PDE3APDE4DSLC29A1POLA1ITGB3
SCHEMBL18078684 0.89 PDE3A (0.69) PDE3APDE4DSLC29A1POLA1ITGB3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4814438-A Immunoglobulin conjugates of 2',2'-difluronucleosides ELI LILLY AND COMPANY (US) 1989-03-21 US claimed
EP-0272891-A2 Immunoglobulin conjugates ELI LILLY AND COMPANY (US) 1988-06-29 EP claimed
US-4994558-A With difluoronucleosides; antitumor, anticancer agents ELI LILLY AND COMPANY (US) 1991-02-19 US disclosed
US-4814438-A Immunoglobulin conjugates of 2',2'-difluronucleosides ELI LILLY AND COMPANY (US) 1989-03-21 US disclosed
EP-0272891-A2 Immunoglobulin conjugates ELI LILLY AND COMPANY (US) 1988-06-29 EP disclosed