SCHEMBL7031741

SCHEMBL7031741

CC(=O)CCC(=O)O[C@@H]1[C@H](O)[C@@H](OC(=O)c2ccccc2)[C@H](Sc2ccc(C)cc2)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 7/20 0.38
LGALS9 O00182 3/20 0.38
LGALS1 P09382 3/20 0.38
LGALS7; LGALS7B P47929 2/20 0.37
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
CA5A P35218 2/20 0.32
CA7 P43166 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
LGALS4 P56470 1/20 0.32
LGALS8 O00214 1/20 0.30

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
SCHEMBL7031768 0.86 FGF2 (0.41) LGALS3LGALS9LGALS1CA12CA1
SCHEMBL7026185 0.83 NT5E (0.43)
SCHEMBL7026186 0.82 FGF2 (0.33)
SCHEMBL7031072 0.81 FGF2 (0.34) LGALS3
SCHEMBL7021624 0.80 NT5E (0.39) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS4
SCHEMBL7031704 0.79 LGALS3 (0.40) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS4
SCHEMBL7024538 0.78 LGALS3 (0.49) LGALS3LGALS9LGALS1LGALS7; LGALS7BCA12
SCHEMBL7026503 0.78 LGALS3 (0.38) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS4
SCHEMBL7028496 0.78 FGF2 (0.36) CA12CA1CA2CA4CA5A
SCHEMBL7027211 0.77 CA1 (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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