SCHEMBL9838552

SCHEMBL9838552

O=c1c2c(O)cccc2oc2cc(O)cc(O)c12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 7/20 0.79
GAA P10253 4/20 0.79
SI P14410 3/20 0.79
MGAM2 Q2M2H8 3/20 0.79
MAOA P21397 7/20 0.68
CLK1 P49759 1/20 0.68
CLK2 P49760 1/20 0.68
CLK3 P49761 1/20 0.68
CDK5 Q00535 1/20 0.68
DYRK1A Q13627 1/20 0.68
CDK5R1 Q15078 1/20 0.68
DYRK2 Q92630 1/20 0.68
CLK4 Q9HAZ1 1/20 0.68
DYRK1B Q9Y463 1/20 0.68
ATP1A1 P05023 1/20 0.67
ATP1B1 P05026 1/20 0.67
ATP1A3 P13637 1/20 0.67
ATP1B2 P14415 1/20 0.67
ATP1A2 P50993 1/20 0.67
ATP1B3 P54709 1/20 0.67

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
SCHEMBL9838561 0.89 MGAM (1.00) MGAMGAASIMGAM2MAOA
SCHEMBL30542658 0.89 MGAM (1.00) MGAMGAASIMGAM2MAOA
SCHEMBL28683594 0.87 MAOA (0.74) MGAMGAASIMGAM2MAOA
SCHEMBL30346466 0.87 MAOA (0.74) MGAMGAASIMGAM2MAOA
SCHEMBL28990273 0.83 GAA (0.54) MGAMGAASIMGAM2MAOA
SCHEMBL30346361 0.83 GAA (0.54) MGAMGAASIMGAM2MAOA
SCHEMBL28334075 0.83 MGAM (0.71) MGAMGAASIMGAM2MAOA
SCHEMBL30346441 0.83 MGAM (0.71) MGAMGAASIMGAM2MAOA
SCHEMBL2314333 0.83 MGAM (1.00) MGAMGAASIMGAM2MAOA
SCHEMBL30346407 0.83 MGAM (1.00) MGAMGAASIMGAM2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106565660-A A bellidifodin preparing method 天津农学院 2017-04-19 CN claimed
US-4987150-A HYDROXYXANTHONES KABUSHIKI KAISHA VITAMIN KENKYUSHO (JP) 1991-01-22 US claimed
EP-0296625-A2 Agent for inhibiting binding of 5 alpha -dihydrotestosterone with androgen receptor as well as process for obtaining same Kabushiki Kaisha Vitamin Kenkyusyo (JP) 1988-12-28 EP claimed
CN-107793361-A A kind of imidazole sulfonic acid ionic liquid compositions and its preparation method and application 天津农学院 2018-03-13 CN disclosed
CN-106565660-A A bellidifodin preparing method 天津农学院 2017-04-19 CN disclosed
US-4987150-A HYDROXYXANTHONES KABUSHIKI KAISHA VITAMIN KENKYUSHO (JP) 1991-01-22 US disclosed
EP-0296625-A2 Agent for inhibiting binding of 5 alpha -dihydrotestosterone with androgen receptor as well as process for obtaining same Kabushiki Kaisha Vitamin Kenkyusyo (JP) 1988-12-28 EP disclosed