SCHEMBL5404178

SCHEMBL5404178

COc1c(F)c(F)c(C(=O)N[C@H]2[C@@H](O)[C@H]([C@]3(O)[C@H](O)[C@H](NC(C)=O)[C@@H](OC)O[C@@H]3CO)O[C@H](CO)[C@@H]2O)c(F)c1F

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 8/20 0.58
LGALS1 P09382 3/20 0.40
LGALS7; LGALS7B P47929 3/20 0.40
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA1 P00915 1/20 0.35
LGALS9 O00182 3/20 0.34
LGALS8 O00214 2/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 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
SCHEMBL5393656 0.90 LGALS3 (0.46) LGALS3LGALS1LGALS7; LGALS7BCA2CA9
SCHEMBL5398983 0.82 LGALS3 (0.53) LGALS3LGALS1LGALS7; LGALS7BCA2CA9
SCHEMBL7112857 0.81 LGALS3 (0.40) LGALS3LGALS1LGALS7; LGALS7BCA2CA9
SCHEMBL5391745 0.80 LGALS3 (0.55) LGALS3LGALS1LGALS7; LGALS7BCA2CA9
SCHEMBL5495152 0.80 LGALS3 (0.55) LGALS3LGALS1LGALS7; LGALS7BCA2CA9
SCHEMBL5394522 0.80 CA1 (0.39) LGALS3LGALS1LGALS7; LGALS7BCA2CA9
SCHEMBL5399353 0.80 LGALS3 (0.40) LGALS3LGALS1LGALS7; LGALS7BCA2CA9
SCHEMBL5348704 0.79 LGALS3 (0.86) LGALS3LGALS1LGALS7; LGALS7BCA2CA9
SCHEMBL19976151 0.79 LGALS3 (0.86) LGALS3LGALS1LGALS7; LGALS7BCA2CA9
SCHEMBL17681090 0.79 LGALS3 (0.86) LGALS3LGALS1LGALS7; LGALS7BCA2CA9

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007508328-A 2007-04-05 JP claimed
EP-1682159-A1 IMMUNOMODULATING COMPOSITIONS AND USES THEREFOR Ralph, John Stephen (AU) 2006-07-26 EP claimed
WO-2005037293-A1 IMMUNOMODULATING COMPOSITIONS AND USES THEREFOR UNIV MONASH (AU) 2005-04-28 WO claimed
EP-1353934-A1 NEW INHIBITORS AGAINST GALECTINS Nilsson, Ulf (SE) 2003-10-22 EP claimed
WO-2002057284-A1 NEW INHIBITORS AGAINST GALECTINS NILSSON ULF (SE) 2002-07-25 WO claimed
EP-1682159-A1 IMMUNOMODULATING COMPOSITIONS AND USES THEREFOR Ralph, John Stephen (AU) 2006-07-26 EP disclosed
WO-2005037293-A1 IMMUNOMODULATING COMPOSITIONS AND USES THEREFOR UNIV MONASH (AU) 2005-04-28 WO disclosed
EP-1353934-A1 NEW INHIBITORS AGAINST GALECTINS Nilsson, Ulf (SE) 2003-10-22 EP disclosed
WO-2002057284-A1 NEW INHIBITORS AGAINST GALECTINS NILSSON ULF (SE) 2002-07-25 WO disclosed