SCHEMBL6886880

SCHEMBL6886880

CC(=O)OC[C@H]1O[C@@H](Nc2nc(=O)[nH]cc2C(C)=O)[C@H](OC(C)=O)[C@H]1OS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 17/20 0.45
CA1 P00915 17/20 0.45
CA2 P00918 17/20 0.45
CA9 Q16790 17/20 0.45
CA14 Q9ULX7 12/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
XDH P47989 1/20 0.39
PTPN1 P18031 1/20 0.37

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
SCHEMBL6882066 0.94 CA12 (0.47) CA12CA1CA2CA9CA14
SCHEMBL6886825 0.92 CA12 (0.48) CA12CA1CA2CA9CA14
SCHEMBL6881960 0.91 CA12 (0.43) CA12CA1CA2CA9CA14
SCHEMBL6889184 0.90 CA12 (0.46) CA12CA1CA2CA9CA14
SCHEMBL6880486 0.90 CA12 (0.46) CA12CA1CA2CA9CA14
SCHEMBL6887575 0.89 CA12 (0.45) CA12CA1CA2CA9CA14
SCHEMBL6884769 0.89 CA12 (0.45) CA12CA1CA2CA9CA14
SCHEMBL6886463 0.89 CA12 (0.45) CA12CA1CA2CA9CA14
SCHEMBL6885703 0.89 CA12 (0.45) CA12CA1CA2CA9CA14
SCHEMBL6885642 0.88 CA12 (0.44) CA12CA1CA2CA9CA14

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-1411954-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION Pharmasset Limited (BB) 2004-04-28 EP disclosed
WO-2002032920-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION PHARMASSET LIMITED (BB) 2002-04-25 WO disclosed