SCHEMBL6844859

SCHEMBL6844859

O=C(O)c1c(CBr)ccc(Br)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TTR P02766 2/20 0.36
DPP4 P27487 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
PTPN1 P18031 3/20 0.34
AKR1C4 P17516 2/20 0.33
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
AKR1C1 Q04828 2/20 0.33
FEN1 P39748 1/20 0.33
PTPN2 P17706 1/20 0.32
PTPN6 P29350 1/20 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
SCHEMBL5588763 0.82 SELL (0.42) DUSP3PTPN5PTPN11CTDSP1DPP4
SCHEMBL22097577 0.79 TTR (0.44) TTRDPP4CA12CA1CA2
SCHEMBL1649000 0.79 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL433284 0.76 KDM4E (0.42) DUSP3PTPN5PTPN11CTDSP1TTR
SCHEMBL31006010 0.75 CA12 (0.50) TTRDPP4CA12CA1CA2
SCHEMBL6494516 0.75 CA12 (0.50) TTRDPP4CA12CA1CA2
SCHEMBL6844843 0.75 HSD17B10 (0.42) CA12CA1CA2CA7CA9
SCHEMBL5756953 0.74 CA12 (0.40) DUSP3PTPN5PTPN11CTDSP1CA12
SCHEMBL433360 0.74 TSHR (0.42) DUSP3PTPN5PTPN11CTDSP1CA12
SCHEMBL5693093 0.73 CA12 (0.46) DUSP3PTPN5PTPN11CTDSP1CA12

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-2011044506-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2011-04-14 WO disclosed