SCHEMBL22325399

SCHEMBL22325399

COc1c(O)ccc2c(=O)c3c(O)cc(O)cc3oc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.72
ATP1A1 P05023 2/20 0.68
ATP1B1 P05026 2/20 0.68
ATP1A3 P13637 2/20 0.68
ATP1B2 P14415 2/20 0.68
ATP1A2 P50993 2/20 0.68
ATP1B3 P54709 2/20 0.68
FXYD2 P54710 2/20 0.68
ATP1A4 Q13733 2/20 0.68
ACE P12821 1/20 0.68
MGAM O43451 4/20 0.59
KDM4E B2RXH2 3/20 0.58
POLB P06746 2/20 0.58
APEX1 P27695 2/20 0.58
RECQL P46063 2/20 0.58
POLH Q9Y253 2/20 0.58
MAPT P10636 2/20 0.58
MEN1 O00255 1/20 0.58
MMP1 P03956 1/20 0.58
GAA P10253 1/20 0.58

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
SCHEMBL31197649 1.00 MAOA (0.72) MAOAATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL4785647 0.91 MAOA (0.70) MAOAATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL28334427 0.90 MGAM (0.70) MAOAATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL29808497 0.83 MAOA (0.72) MAOAATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL30436568 0.81 ATP1A1 (1.00) MAOAATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL2313484 0.81 ATP1A1 (1.00) MAOAATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL7933844 0.81 MAOA (0.72) MAOAMGAMKDM4EMAPTGAA
SCHEMBL30346290 0.80 MAOA (0.83) MAOAATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL5348538 0.80 MAOA (0.83) MAOAATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL5446446 0.77 MAOA (0.69) MAOAMGAMKDM4EMAPTMEN1

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-118806621-A Compound capable of reducing accumulation of advanced glycosylation end products 北京青颜博识健康管理有限公司 2024-10-22 CN disclosed
WO-2020162638-A1 COMPOSITION FOR AMELIORATING MALIGNANT TUMOR DISEASES 学校法人近畿大学 2020-08-13 WO disclosed
WO-2020162638-A1 COMPOSITION FOR AMELIORATING MALIGNANT TUMOR DISEASES 学校法人近畿大学 2020-08-13 WO disclosed