SCHEMBL28245358

SCHEMBL28245358

COc1ccc(C=CC(=O)c2cc3ccccc3oc2=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.74
MAOA P21397 6/20 0.74
PLIN1 O60240 2/20 0.71
LMNA P02545 2/20 0.71
MAPT P10636 2/20 0.71
PLIN5 Q00G26 2/20 0.71
ABHD5 Q8WTS1 2/20 0.71
KDM4E B2RXH2 1/20 0.71
MEN1 O00255 1/20 0.71
ALDH1A1 P00352 1/20 0.71
RAB9A P51151 1/20 0.71
KMT2A Q03164 1/20 0.71
GAA P10253 2/20 0.63
MGAM O43451 1/20 0.63
SI P14410 1/20 0.63
MGAM2 Q2M2H8 1/20 0.63
PADI4 Q9UM07 1/20 0.63
MAPK1 P28482 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
HDAC3 O15379 1/20 0.57

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
SCHEMBL28245356 1.00 MAOB (0.74) MAOBMAOAPLIN1LMNAMAPT
SCHEMBL1366721 0.89 MAOB (0.74) MAOBMAOAPLIN1LMNAMAPT
SCHEMBL1368330 0.89 MAOB (0.74) MAOBMAOAPLIN1LMNAMAPT
SCHEMBL1366720 0.89 MAOB (0.74) MAOBMAOAPLIN1LMNAMAPT
SCHEMBL22667858 0.88 MAPT (0.63) MAOBMAOAPLIN1LMNAMAPT
SCHEMBL28458356 0.88 MAPT (0.63) MAOBMAOAPLIN1LMNAMAPT
SCHEMBL11096665 0.87 MAPT (0.62) MAOBMAOAPLIN1LMNAMAPT
SCHEMBL11096660 0.87 MAPT (0.62) MAOBMAOAPLIN1LMNAMAPT
SCHEMBL22331082 0.87 MAOB (0.66) MAOBMAOAPLIN1LMNAMAPT
SCHEMBL22331085 0.87 MAOB (0.66) MAOBMAOAPLIN1LMNAMAPT

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 3 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
CN-108558807-A The method of one pot process cumarin base chalcone compounds 河南中烟工业有限责任公司 2018-09-21 CN disclosed