SCHEMBL5899337

SCHEMBL5899337

Cc1ccc(S[C@@H]2O[C@H](CO)[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 9/20 0.56
LGALS9 O00182 5/20 0.56
LGALS1 P09382 5/20 0.56
LGALS7; LGALS7B P47929 4/20 0.55
CA12 O43570 3/20 0.54
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA4 P22748 3/20 0.54
CA5A P35218 3/20 0.54
CA7 P43166 3/20 0.54
CA5B Q9Y2D0 3/20 0.54
LGALS8 O00214 3/20 0.43
LGALS4 P56470 1/20 0.41
RNASE1 P07998 1/20 0.40
SSTR4 P31391 2/20 0.38
SSTR5 P35346 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SELP P16109 1/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL9116172 0.92 LGALS9 (0.60) LGALS3LGALS9LGALS1LGALS7; LGALS7BCA12
SCHEMBL3817822 0.91 LGALS3 (0.65) LGALS3LGALS9LGALS1LGALS7; LGALS7BCA12
SCHEMBL22500214 0.91 LGALS3 (0.49) LGALS3LGALS9LGALS1LGALS7; LGALS7BCA12
SCHEMBL18942028 0.91 LGALS9 (0.62) LGALS3LGALS9LGALS1LGALS7; LGALS7BCA12
SCHEMBL4421042 0.89 LGALS3 (0.50) LGALS3LGALS9LGALS1LGALS7; LGALS7BCA12
SCHEMBL18045641 0.89 CA1 (0.51) LGALS3LGALS9LGALS1LGALS7; LGALS7BCA12
SCHEMBL18068230 0.89 CA1 (0.51) LGALS3LGALS9LGALS1LGALS7; LGALS7BCA12
SCHEMBL2539365 0.88 CA1 (0.49) LGALS3LGALS9LGALS1LGALS7; LGALS7BCA12
SCHEMBL17154133 0.87 LGALS3 (0.60) LGALS3LGALS9LGALS1LGALS7; LGALS7BCA12
SCHEMBL17154143 0.87 LGALS3 (0.60) LGALS3LGALS9LGALS1LGALS7; LGALS7BCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7019131-B2 Programmable one-pot oligosaccharide synthesis THE SCRIPPS RESEARCH INSTITUTE (US) 2006-03-28 US disclosed
US-20040024201-A1 Programmable one-pot oligosaccharide synthesis THE SCRIPPS RESEARCH INSTITUTE (US) 2004-02-05 US disclosed
US-6538117-B1 Linear sequence of three or more glycosyl units linked to one another by glycosidic linkages; database of reactivity values for glycosyl donors THE SCRIPPS RESEARCH INSTITUTE 2003-03-25 US disclosed