SCHEMBL7026503

SCHEMBL7026503

COc1ccc(CO[C@H]2[C@@H](O)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[C@@H](Sc3ccc(C)cc3)[C@@H]2OC(=O)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 10/20 0.38
LGALS9 O00182 5/20 0.38
LGALS1 P09382 4/20 0.38
LGALS7; LGALS7B P47929 3/20 0.37
LGALS8 O00214 2/20 0.36
PTPN1 P18031 1/20 0.35
NT5E P21589 1/20 0.35
LGALS4 P56470 1/20 0.34
SSTR4 P31391 4/20 0.33
SSTR5 P35346 2/20 0.31
SSTR1 P30872 1/20 0.31
SSTR2 P30874 1/20 0.31
SSTR3 P32745 1/20 0.31
DHODH Q02127 1/20 0.31

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 0.89 FGF2 (0.41) LGALS3LGALS9LGALS1PTPN1NT5E
SCHEMBL7149763 0.87 NT5E (0.37) PTPN1NT5E
SCHEMBL7030616 0.84 SSTR5 (0.33) LGALS3SSTR4SSTR5
SCHEMBL7031072 0.84 FGF2 (0.34) LGALS3SSTR4
SCHEMBL7021624 0.81 NT5E (0.39) LGALS3LGALS9LGALS1LGALS7; LGALS7BPTPN1
SCHEMBL7028496 0.81 FGF2 (0.36)
SCHEMBL7026507 0.80 NT5E (0.38) LGALS3PTPN1NT5ELGALS4
SCHEMBL7031704 0.80 LGALS3 (0.40) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL21095857 0.79 CA12 (0.45) LGALS3LGALS9LGALS1LGALS7; LGALS7BNT5E
SCHEMBL13855489 0.79 NT5E (0.44) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8

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