SCHEMBL16587627

SCHEMBL16587627

CC1O[C@H](C(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OC1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 1/20 0.47
▸ IGF2R P11717 2/20 0.46
▸ SELE P16581 1/20 0.46
▸ STAT3 P40763 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ XDH P47989 1/20 0.41
▸ MGAM O43451 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ UBE2N P61088 1/20 0.41
▸ CD209 Q9NNX6 1/20 0.40

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
SCHEMBL16869952 1.00 AMY1A (0.47) AMY1AIGF2RSELESTAT3ALDH1A1
SCHEMBL14616228 0.96 AMY1A (0.44) AMY1AIGF2RSELESTAT3ALDH1A1
SCHEMBL19480148 0.93 IGF2R (0.46) AMY1AIGF2RSELESTAT3ALDH1A1
SCHEMBL19480247 0.93 IGF2R (0.46) AMY1AIGF2RSELESTAT3ALDH1A1
SCHEMBL26032277 0.90 AMY1A (0.54) AMY1AIGF2RSELESTAT3ALDH1A1
SCHEMBL27279098 0.89 AMY1A (0.51) AMY1AIGF2RSELESTAT3
SCHEMBL19480243 0.88 IGF2R (0.42) AMY1AIGF2RSELESTAT3ALDH1A1
SCHEMBL22026382 0.88 IGF2R (0.48) AMY1AIGF2RSELESTAT3PTPN1
SCHEMBL16866291 0.85 AMY1A (0.41) AMY1AIGF2RSELESTAT3ALDH1A1
SCHEMBL24250552 0.84 SELE (0.45) AMY1AIGF2RSELESTAT3ALDH1A1

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-8987217-B2 Modified saponins for the treatment of fungal infections THE GENERAL HOSPITAL CORPORATION (US) 2015-03-24 — — US disclosed
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