SCHEMBL28213460

SCHEMBL28213460

Nc1ccn([C@]2(F)O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1.O=CCC(O)C(O)CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 3/20 0.45
PDE4D Q08499 1/20 0.45
SLC29A1 Q99808 1/20 0.45
LMNA P02545 4/20 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
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLA1 P09884 1/20 0.32
NT5E P21589 1/20 0.32
CACNA1F O60840 2/20 0.31
ALB P02768 2/20 0.31
MAPT P10636 2/20 0.31
CACNA1D Q01668 2/20 0.31
CACNA1S Q13698 2/20 0.31
CACNA1C Q13936 2/20 0.31

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
SCHEMBL223208 0.87 PDE3A (0.54) PDE3APDE4DSLC29A1LMNATHRB
Hydrochloric Acid SCHEMBL28104164 0.86 PDE3A (0.53) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL3306482 0.81 SLC28A1 (0.39) SLC29A1
SCHEMBL23258348 0.80 PDE3A (0.56) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL582792 0.78 PDE3A (0.52) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL350552 0.78 PDE3A (0.52) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL27966727 0.78 PDE3A (0.54) PDE3APDE4DSLC29A1LMNATHRB
Cytidine SCHEMBL27296870 0.76 LMNA (0.74) PDE3APDE4DSLC29A1LMNATHRB
Cytidine SCHEMBL27286858 0.76 LMNA (0.74) PDE3APDE4DSLC29A1LMNATHRB
Cytidine SCHEMBL28754798 0.75 LMNA (0.72) 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
CN-105130972-B Benzoic acid emtricitabine salt, its preparation method and the method for preparing emtricitabine with benzoic acid emtricitabine salt 中孚药业股份有限公司 2018-04-20 CN disclosed