SCHEMBL21584473

SCHEMBL21584473

CC(C)(C)OC(=O)c1cc(O)c2c(c1)OC(N)(N)O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
SERPINE1 P05121 2/20 0.35
SLC7A5 Q01650 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NFKB1 P19838 1/20 0.33
XDH P47989 1/20 0.33
GFER P55789 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
FUT7 Q11130 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
STAT3 P40763 2/20 0.32

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
SCHEMBL21584398 0.78 CNR1 (0.39) CA12CA1CA2CA9CA14
SCHEMBL23630688 0.72 SERPINE1 (0.38) SERPINE1SLC7A5POLBGAAALOX15
SCHEMBL23630682 0.72 SERPINE1 (0.38) SERPINE1SLC7A5POLBGAAALOX15
SCHEMBL39049 0.71 POLB (0.61) CA12CA1CA2CA9CA14
SCHEMBL13243342 0.70 SERPINE1 (0.44) CA12CA1CA2CA9CA14
SCHEMBL7058435 0.69 CA12 (0.47) CA12CA1CA2CA9CA14
SCHEMBL13243343 0.69 SERPINE1 (0.43) CA12CA1CA2CA9CA14
SCHEMBL3312280 0.69 SERPINE1 (0.43) CA12CA1CA2CA9CA14
SCHEMBL9470701 0.68 CA12 (0.50) CA12CA1CA2CA9CA14
SCHEMBL3566260 0.68 LMNA (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019228408-A1 POTENT INHIBITORS OF D-AMINO ACID OXIDASE (DAAO) AND USES THEREOF SYNEURX INTERNATIONAL (TAIWAN) CORP. (CN) 2019-12-05 WO disclosed