SCHEMBL28798388

SCHEMBL28798388

COc1cc(O)c2c(=O)oc3cc(O)cc(C)c3c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 1.00
CLK2 P49760 1/20 0.76
ESR1 P03372 2/20 0.59
ESR2 Q92731 2/20 0.59
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
SLC22A2 O15244 1/20 0.55
SLC22A1 O15245 1/20 0.55
EED O75530 1/20 0.55
ALOX5 P09917 1/20 0.55
THRB P10828 1/20 0.55
G6PD P11413 1/20 0.55
CBR1 P16152 1/20 0.55
APEX1 P27695 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
NUAK1 O60285 1/20 0.52
IGF1R P08069 1/20 0.52
PIM1 P11309 1/20 0.52

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
SCHEMBL29377175 1.00 MAOA (1.00) MAOACLK2ESR1ESR2MEN1
Alternariol SCHEMBL29423320 0.87 CLK2 (1.00) MAOACLK2ESR1ESR2NUAK1
Alternariol SCHEMBL1096830 0.87 CLK2 (1.00) MAOACLK2ESR1ESR2NUAK1
Verrulactone A SCHEMBL29929581 0.81 MAOA (0.67) MAOACLK2ESR1ESR2MEN1
SCHEMBL30321445 0.80 MAOA (0.67) MAOACLK2ESR1ESR2MEN1
SCHEMBL31465207 0.80 MAOA (0.66) MAOACLK2ESR1ESR2MEN1
SCHEMBL30321460 0.78 MEN1 (0.71) MAOACLK2ESR1ESR2MEN1
SCHEMBL30335047 0.78 MEN1 (0.71) MAOACLK2ESR1ESR2MEN1
SCHEMBL30321458 0.77 MAOA (0.63) MAOACLK2ESR1ESR2MEN1
SCHEMBL28721629 0.77 MAOA (0.62) MAOACLK2ESR1ESR2MEN1

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-114540206-A Method for in vitro degradation of alternariol monomethyl ether by using aspergillus oryzae PC2 intracellular enzyme 湘潭大学 2022-05-27 CN disclosed
CN-111595976-B Method for analyzing residues of six alternaria alternata toxins in solanaceous vegetables 上海市农业科学院 2022-04-01 CN disclosed
CN-111595976-A Method for analyzing residues of six alternaria alternata toxins in solanaceous vegetables 上海市农业科学院 2020-08-28 CN disclosed