Allicin

Allicin

SCHEMBL5451006

C/C=C1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(O)OCCc1ccc(O)c(O)c1.C=CCS[S+]([O-])CC=C

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.63
IL2 P60568 1/20 0.51
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 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
PRKCA P17252 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
KDM1A O60341 1/20 0.34
STAT3 P40763 7/20 0.34
PPARG P37231 2/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
CTDSP1 Q9GZU7 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
SCHEMBL7631773 0.90 BACE1 (0.77) BACE1IL2POLBKDM4EGAA
SCHEMBL124603 0.90 BACE1 (0.77) BACE1IL2POLBKDM4EGAA
SCHEMBL124604 0.90 BACE1 (0.77) BACE1IL2POLBKDM4EGAA
Phenol SCHEMBL22345138 0.86 BACE1 (0.71) BACE1IL2POLBKDM4EGAA
Honokiol SCHEMBL3837036 0.85 BACE1 (0.62) BACE1IL2POLBKDM4EGAA
SCHEMBL22400844 0.81 BACE1 (0.64) BACE1IL2POLBKDM4EGAA
Oleuropein SCHEMBL23133256 0.78 BACE1 (1.00) BACE1IL2POLBKDM4EGAA
Oleuropein SCHEMBL23133255 0.78 BACE1 (1.00) BACE1IL2POLBKDM4EGAA
Oleuropein SCHEMBL22598615 0.78 BACE1 (1.00) BACE1IL2POLBKDM4EGAA
Oleuropein SCHEMBL24452037 0.78 BACE1 (1.00) BACE1IL2POLBKDM4EGAA

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-20070020340-A1 Fish oil products for reducing cholesterol, low density lipoprotein, and hypertension RUBIN DAVID 2007-01-25 US disclosed