Sugi Predict

Sugi Predict / Compounds / Acetoside

Acetoside

Acetoside

SCHEMBL18740743

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O.OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 7/20 0.75
▸ L3MBTL1 Q9Y468 2/20 0.75
▸ KDM1A O60341 2/20 0.75
▸ BACE1 P56817 1/20 0.75
▸ ALDH1A1 P00352 1/20 0.72
▸ CYP3A4 P08684 1/20 0.72
▸ ALOX15 P16050 1/20 0.72
▸ MAPK1 P28482 1/20 0.72
▸ HSD17B10 Q99714 1/20 0.72
▸ TRPV3 Q8NET8 1/20 0.61
▸ MMP2 P08253 1/20 0.59
▸ MMP3 P08254 1/20 0.59
▸ MMP9 P14780 1/20 0.59
▸ MMP12 P39900 1/20 0.59
▸ MMP13 P45452 1/20 0.59
▸ BCHE P06276 1/20 0.53
▸ CCNA2 P20248 1/20 0.53
▸ CDK2 P24941 1/20 0.53
▸ CCNA1 P78396 1/20 0.53
▸ HSP90AA1 P07900 1/20 0.53

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
Acetoside SCHEMBL18740742 0.93 PRKCA (0.65) PRKCAL3MBTL1KDM1ABACE1ALDH1A1
Acetoside SCHEMBL16274401 0.86 PRKCA (1.00) PRKCAL3MBTL1KDM1ABACE1ALDH1A1
Acetoside SCHEMBL17193157 0.86 PRKCA (1.00) PRKCAL3MBTL1KDM1ABACE1ALDH1A1
Acetoside SCHEMBL18826154 0.86 PRKCA (1.00) PRKCAL3MBTL1KDM1ABACE1ALDH1A1
Acetoside SCHEMBL23494911 0.86 PRKCA (1.00) PRKCAL3MBTL1KDM1ABACE1ALDH1A1
Acetoside SCHEMBL24452036 0.86 PRKCA (1.00) PRKCAL3MBTL1KDM1ABACE1ALDH1A1
Acetoside SCHEMBL16307184 0.86 PRKCA (1.00) PRKCAL3MBTL1KDM1ABACE1ALDH1A1
Acetoside SCHEMBL16470332 0.86 PRKCA (1.00) PRKCAL3MBTL1KDM1ABACE1ALDH1A1
Acetoside SCHEMBL16273181 0.86 PRKCA (1.00) PRKCAL3MBTL1KDM1ABACE1ALDH1A1
Acetoside SCHEMBL13978365 0.86 PRKCA (1.00) PRKCAL3MBTL1KDM1ABACE1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3362072-A1 NITROGEN UTILISATION MODULATION PGG Wrightson Seeds Limited (NZ) 2018-08-22 — — EP disclosed
WO-2017065619-A1 NITROGEN UTILISATION MODULATION PGG WRIGHTSON SEEDS LIMITED (NZ) 2017-04-20 — — WO disclosed
Send feedback