SCHEMBL15046103

SCHEMBL15046103

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 3/20 0.60
PDE4D Q08499 1/20 0.60
SLC29A1 Q99808 1/20 0.60
POLA1 P09884 2/20 0.52
NT5E P21589 1/20 0.42
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
CACNA1F O60840 2/20 0.38
ALB P02768 2/20 0.38
MAPT P10636 2/20 0.38
CACNA1D Q01668 2/20 0.38
CACNA1S Q13698 2/20 0.38
CACNA1C Q13936 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.35
POLG P54098 1/20 0.35

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
SCHEMBL15045976 0.88 PDE3A (0.60) PDE3APDE4DSLC29A1POLA1NT5E
SCHEMBL23474279 0.88 PDE3A (0.65) PDE3APDE4DSLC29A1POLA1NT5E
SCHEMBL25619493 0.88 PDE3A (0.65) PDE3APDE4DSLC29A1POLA1NT5E
SCHEMBL23474183 0.88 PDE3A (0.65) PDE3APDE4DSLC29A1POLA1NT5E
SCHEMBL15253010 0.88 PDE3A (0.65) PDE3APDE4DSLC29A1POLA1NT5E
SCHEMBL13190275 0.87 PDE3A (0.57) PDE3APDE4DSLC29A1POLA1NT5E
SCHEMBL13134656 0.87 PDE3A (0.57) PDE3APDE4DSLC29A1POLA1NT5E
SCHEMBL800384 0.87 PDE3A (0.57) PDE3APDE4DSLC29A1POLA1NT5E
SCHEMBL882023 0.86 PDE3A (0.56) PDE3APDE4DSLC29A1POLA1NT5E
SCHEMBL800826 0.85 PDE3A (0.57) PDE3APDE4DSLC29A1POLA1NT5E

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-2013090420-A2 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-06-20 WO disclosed