SCHEMBL18650710

SCHEMBL18650710

C=CCOC1O[C@H](CO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](C)[C@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)[C@@H](C)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 5/20 0.43
LGALS9 O00182 3/20 0.43
LGALS1 P09382 3/20 0.43
LGALS7; LGALS7B P47929 2/20 0.43
LGALS4 P56470 2/20 0.39
SELP P16109 8/20 0.38
SELE P16581 3/20 0.37
MAOB P27338 1/20 0.36
EPHX2 P34913 1/20 0.34
LGALS8 O00214 1/20 0.34
NT5E P21589 1/20 0.34
PTPN1 P18031 1/20 0.33

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
SCHEMBL18650699 0.92 LGALS3 (0.36) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS4
SCHEMBL18650713 0.92 PTPN1 (0.42) LGALS3LGALS9LGALS1LGALS7; LGALS7BSELP
SCHEMBL18650697 0.91 LGALS3 (0.41) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS4
SCHEMBL18654198 0.89 LGALS3 (0.45) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS4
SCHEMBL18654204 0.89 LGALS3 (0.45) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS4
SCHEMBL17241861 0.86 LGALS3 (0.48) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS4
SCHEMBL17241860 0.86 LGALS3 (0.48) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS4
SCHEMBL2483143 0.86 LGALS3 (0.48) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS4
SCHEMBL20226186 0.86 LGALS3 (0.48) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS4
SCHEMBL20226195 0.84 PTPN1 (0.44) PTPN1

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-20170081428-A1 IMMUNOMODULATING BETA-1,6-D-GLUCANS INNATE BIOTHERAPEUTICS, LLC 2017-03-23 US disclosed