SCHEMBL28458356

SCHEMBL28458356

COc1cccc(C=CC(=O)c2cc3ccccc3oc2=O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.63
MAOB P27338 5/20 0.61
MAOA P21397 2/20 0.61
RAB9A P51151 2/20 0.59
ABCG2 Q9UNQ0 2/20 0.59
NPC1 O15118 1/20 0.59
HDAC1 Q13547 2/20 0.59
PLIN1 O60240 2/20 0.59
LMNA P02545 2/20 0.59
PLIN5 Q00G26 2/20 0.59
ABHD5 Q8WTS1 2/20 0.59
KDM4E B2RXH2 1/20 0.59
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 1/20 0.59
KMT2A Q03164 1/20 0.59
NQO1 P15559 2/20 0.58
BCHE P06276 1/20 0.57
NR1H4 Q96RI1 2/20 0.56
GAA P10253 1/20 0.55
MAPK1 P28482 1/20 0.55

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
SCHEMBL22667858 1.00 MAPT (0.63) MAPTMAOBMAOARAB9AABCG2
SCHEMBL28245358 0.88 MAOB (0.74) MAPTMAOBMAOARAB9AHDAC1
SCHEMBL28245356 0.88 MAOB (0.74) MAPTMAOBMAOARAB9AHDAC1
SCHEMBL28461606 0.85 MAPT (0.64) MAPTMAOBMAOARAB9AABCG2
SCHEMBL22331085 0.85 MAOB (0.66) MAPTMAOBMAOARAB9AABCG2
SCHEMBL22331082 0.85 MAOB (0.66) MAPTMAOBMAOARAB9AABCG2
SCHEMBL28244683 0.84 MAOB (0.68) MAOBMAOARAB9ANPC1KDM4E
SCHEMBL28244685 0.84 MAOB (0.68) MAOBMAOARAB9ANPC1KDM4E
SCHEMBL4515467 0.83 MAOB (0.68) MAOBMAOAKDM4EGAACYP1A2
SCHEMBL4515465 0.83 MAOB (0.68) MAOBMAOAKDM4EGAACYP1A2

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
CN-111588718-B Alpha-glucosidase inhibitor and application thereof 五邑大学 2021-06-08 CN disclosed
CN-111588718-A Alpha-glucosidase inhibitor and application thereof 五邑大学 2020-08-28 CN disclosed