SCHEMBL28274391

SCHEMBL28274391

COC1C(CO)OC(OCC2OC(OC3C(CO)OC(C)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(OC)C(O)C2OCCO)C(O)C1O.[CH2]CCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 2/20 0.40
▸ LGALS3 P17931 2/20 0.40
▸ LGALS8 O00214 1/20 0.40
▸ LGALS4 P56470 1/20 0.40
▸ AMY2A P04746 4/20 0.39
▸ FGF1 P05230 2/20 0.38
▸ ENGASE Q8NFI3 1/20 0.38
▸ CD209 Q9NNX6 1/20 0.37
▸ STAT3 P40763 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ LGALS9 O00182 1/20 0.35
▸ LGALS1 P09382 1/20 0.35
▸ LGALS7; LGALS7B P47929 1/20 0.35
▸ GAA P10253 4/20 0.34
▸ MGAM O43451 2/20 0.34
▸ SI P14410 1/20 0.34

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
SCHEMBL28115516 0.95 AMY1A (0.42) AMY1ALGALS3LGALS8LGALS4AMY2A
SCHEMBL28111868 0.94 AMY1A (0.43) AMY1ALGALS3LGALS8LGALS4AMY2A
SCHEMBL28230401 0.93 AMY1A (0.43) AMY1ALGALS3LGALS8LGALS4AMY2A
SCHEMBL23306563 0.93 AMY1A (0.45) AMY1ALGALS3LGALS8LGALS4AMY2A
Ethylene Glycol SCHEMBL28072206 0.92 AMY1A (0.44) AMY1ALGALS3LGALS8LGALS4AMY2A
SCHEMBL28300283 0.91 AMY1A (0.43) AMY1ALGALS3LGALS8LGALS4AMY2A
Acrylamide SCHEMBL28214884 0.86 AMY1A (0.39) AMY1ALGALS3LGALS8LGALS4AMY2A
SCHEMBL28295705 0.85 AMY1A (0.39) AMY1ALGALS3LGALS8LGALS4AMY2A
SCHEMBL17247217 0.85 AMY1A (0.52) AMY1ALGALS3LGALS8LGALS4AMY2A
SCHEMBL25218454 0.85 AMY1A (0.52) AMY1ALGALS3LGALS8LGALS4AMY2A

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
CN-109310960-A Processing machine and process for granulating powder 斯提尔生命印度私人有限公司 2019-02-05 — — CN disclosed
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