SCHEMBL20206965

SCHEMBL20206965

CCOCc1cc(O)c(=O)c2c(O)c(O)c(Br)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 7/20 0.42
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
TLR2 O60603 1/20 0.35
TLR1 Q15399 1/20 0.35
TLR6 Q9Y2C9 1/20 0.35

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
SCHEMBL20189050 0.76 PTPN11 (0.73) PTPN11GAAMAPTPKMTLR2
SCHEMBL20206964 0.74 PTPN11 (0.40) PTPN11GAAMAPTPKM
SCHEMBL20188864 0.71 TLR2 (0.60) PTPN11TLR2TLR1TLR6
SCHEMBL23764872 0.71 SELL (0.39) GAAMAPT
SCHEMBL20191154 0.70 PTPN11 (0.71) PTPN11GAAMAPTTLR2TLR1
SCHEMBL20206969 0.70 PTPN11 (0.46) PTPN11TLR2TLR1TLR6
SCHEMBL20206978 0.69 TLR2 (0.67) PTPN11TLR2TLR1TLR6
SCHEMBL20187628 0.69 PTPN11 (0.68) PTPN11MAPT
SCHEMBL20206975 0.69 PTPN11 (0.44) PTPN11GAATLR2TLR1TLR6
SCHEMBL20206986 0.68 PTPN11 (0.68) PTPN11TLR2TLR1TLR6

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-2018096088-A1 HALOGENATED BENZOTROPOLONES AS ATG4B INHIBITORS UNIVERSITEIT ANTWERPEN (BE) 2018-05-31 WO disclosed