SCHEMBL2267862

SCHEMBL2267862

CC(C)OC(=O)C1=CC=CNC1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.41
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
CA7 P43166 6/20 0.41
CA9 Q16790 6/20 0.41
CA14 Q9ULX7 6/20 0.41
KDM4E B2RXH2 3/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33

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
SCHEMBL22272897 0.82 KDM4E (0.36) CA12CA1CA2CA7CA9
SCHEMBL817766 0.67 CA12 (0.35) CA12CA1CA2CA7CA9
SCHEMBL818003 0.64 KDM4E (0.34) CA12CA1CA2CA7CA9
SCHEMBL819492 0.64 ALDH1A1 (0.34) CA12CA1CA2CA7CA9
SCHEMBL21776592 0.61 LMNA (0.43) CA12CA1CA2CA7CA9
SCHEMBL9788721 0.61 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL18856494 0.61 CHRNB2 (0.31) ALDH1A1
SCHEMBL7527292 0.60 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL16606258 0.60 CA12 (0.75) CA12CA1CA2CA7CA9
SCHEMBL701832 0.60 CA12 (0.83) 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-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 WO disclosed