SCHEMBL28097614

SCHEMBL28097614

CCOP(C)(=O)OCC.Cc1ccc(S([O])(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
GAA P10253 3/20 0.41
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 2/20 0.39
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
TLR9 Q9NR96 1/20 0.37
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 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
SCHEMBL9807324 0.85 CA12 (0.45) CA12CA1CA2CA9GAA
Methyl Phosphonate SCHEMBL28097649 0.77 MMP2 (0.50) CA12CA1CA2CA9GAA
SCHEMBL927 0.77 GAA (0.65) CA12CA1CA2CA9GAA
SCHEMBL27819892 0.75 CA12 (0.45) CA12CA1CA2CA9GAA
SCHEMBL28110060 0.73 RAPGEF4 (0.38) CA12CA1CA2CA9GAA
Benzene SCHEMBL27876737 0.72 GAA (0.59) CA12CA1CA2CA9GAA
SCHEMBL27956312 0.72 KMT2A (0.42) CA12CA1CA2CA9GAA
SCHEMBL27888435 0.72 CA1 (0.43) CA12CA1CA2CA9GAA
SCHEMBL1374250 0.72 ALDH1A1 (0.47) CA12CA1CA2CA9GAA
SCHEMBL4206457 0.72 CA12 (0.40) CA12CA1CA2CA9GAA

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-103917550-B For the method preparing tenofovir 劳拉斯实验室私人有限公司 2016-08-24 CN disclosed