SCHEMBL22072425

SCHEMBL22072425

COc1ccc(C(OCC(CCn2ccc(=O)[nH]c2=O)OC)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DUT P33316 15/20 0.53
TK1 P04183 2/20 0.45
SLC6A1 P30531 2/20 0.39
SLC6A11 P48066 1/20 0.39

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
SCHEMBL21873592 0.84 DUT (0.52) DUTTK1SLC6A1SLC6A11
SCHEMBL21873594 0.84 DUT (0.52) DUTTK1SLC6A1SLC6A11
SCHEMBL23056625 0.84 TK1 (0.67) TK1
SCHEMBL9693235 0.82 DUT (0.65) DUTTK1
SCHEMBL26647608 0.81 DUT (0.61) DUTTK1
SCHEMBL26647605 0.81 DUT (0.61) DUTTK1
SCHEMBL23621975 0.81 DUT (0.44) DUTTK1SLC6A1SLC6A11
SCHEMBL21873638 0.79 DUT (0.45) DUTTK1SLC6A1SLC6A11
SCHEMBL21873636 0.79 DUT (0.45) DUTTK1SLC6A1SLC6A11
SCHEMBL21873569 0.77 DUT (0.58) DUTTK1SLC6A1SLC6A11

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-2020114495-A1 DINUCLEOTIDE COMPOUND AND PRODRUG THEREOF 正大天晴药业集团股份有限公司 2020-06-11 WO disclosed