SCHEMBL21045068

SCHEMBL21045068

COc1ccc(O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](O)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.49
▸ TDP1 Q9NUW8 1/20 0.47
▸ GAPDH P04406 1/20 0.45
▸ LGALS9 O00182 2/20 0.44
▸ LGALS1 P09382 2/20 0.44
▸ LGALS3 P17931 2/20 0.44
▸ LGALS7; LGALS7B P47929 2/20 0.44
▸ LGALS8 O00214 1/20 0.43
▸ HRAS P01112 1/20 0.43
▸ SLC5A1 P13866 2/20 0.43
▸ SLC5A2 P31639 2/20 0.43

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
SCHEMBL18022557 0.94 TDP1 (0.49) PTPN1TDP1GAPDHLGALS9LGALS1
SCHEMBL16689629 0.94 TDP1 (0.49) PTPN1TDP1GAPDHLGALS9LGALS1
SCHEMBL16673452 0.94 TDP1 (0.49) PTPN1TDP1GAPDHLGALS9LGALS1
SCHEMBL16673453 0.94 TDP1 (0.49) PTPN1TDP1GAPDHLGALS9LGALS1
SCHEMBL17766500 0.92 GAPDH (0.49) PTPN1TDP1GAPDHLGALS9LGALS1
SCHEMBL24192986 0.87 LGALS3 (0.52) PTPN1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL19869143 0.87 LGALS3 (0.52) PTPN1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL14413230 0.87 LGALS3 (0.52) PTPN1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL12807943 0.87 LGALS3 (0.52) PTPN1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL1521368 0.87 LGALS3 (0.52) PTPN1LGALS9LGALS1LGALS3LGALS7; LGALS7B

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
US-20190167779-A1 Synthetic Antigen Constructs Against Campylobacter Jejuni UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2019-06-06 — — US disclosed
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