SCHEMBL5283426

SCHEMBL5283426

CCOC(=O)[C@H](O)c1ccc(O)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
TTR P02766 1/20 0.46
DPP4 P27487 1/20 0.46
TDP1 Q9NUW8 8/20 0.46
KDM4E B2RXH2 7/20 0.46
MAPK1 P28482 4/20 0.46
BLM P54132 6/20 0.45
TSHR P16473 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 6/20 0.45
RECQL P46063 4/20 0.45
HSD17B10 Q99714 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
APEX1 P27695 3/20 0.45

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
SCHEMBL5283420 1.00 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL3835227 0.88 TRPA1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL9314014 0.87 APP (0.49) CA12CA1CA2CA7CA9
SCHEMBL9314019 0.87 APP (0.49) CA12CA1CA2CA7CA9
SCHEMBL10914355 0.85 SLC6A2 (0.43) CA12CA1CA2CA7CA9
SCHEMBL10914361 0.85 SLC6A2 (0.43) CA12CA1CA2CA7CA9
SCHEMBL29191471 0.84 TSHR (0.51) CA12CA1CA2CA9BLM
SCHEMBL186928 0.84 APP (0.51) TDP1KDM4EMAPK1BLMTSHR
SCHEMBL186927 0.84 APP (0.51) TDP1KDM4EMAPK1BLMTSHR
SCHEMBL490910 0.83 CA12 (0.53) CA12CA1CA2CA7CA9

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-2007009590-A1 PROCESS FOR THE PREPARATION OF PHENOLIC COMPOUNDS DSM IP ASSETS B.V. (NL) 2007-01-25 WO disclosed