SCHEMBL28199307

SCHEMBL28199307

O=c1c2cc(O)ccc2oc2cccc(OCc3ccccc3)c12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.59
ACHE P22303 1/20 0.59
MAOA P21397 3/20 0.56
CCNE2 O96020 1/20 0.54
CDK1 P06493 1/20 0.54
CCNB1 P14635 1/20 0.54
CCNE1 P24864 1/20 0.54
CDK2 P24941 1/20 0.54
GSK3B P49841 1/20 0.54
ESR1 P03372 1/20 0.53
KDM5A P29375 1/20 0.53
ESR2 Q92731 1/20 0.53
MAOB P27338 3/20 0.51
EDNRA P25101 1/20 0.51
POLB P06746 1/20 0.49
MGAM O43451 2/20 0.49
FASN P49327 1/20 0.49
ABCB1 P08183 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46

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
SCHEMBL4914778 0.87 MAOA (0.61) BCHEACHEMAOAESR1KDM5A
SCHEMBL16527515 0.86 MAOB (0.50) BCHEACHEMAOAESR1KDM5A
SCHEMBL19774090 0.85 EDNRA (0.49) BCHEACHEMAOAESR1KDM5A
SCHEMBL29853607 0.82 ACHE (0.59) BCHEACHECCNE2CDK1CCNB1
SCHEMBL29167450 0.78 KDM4E (0.56) MAOACCNE2CDK1CCNB1CCNE1
SCHEMBL7546749 0.76 BCHE (0.60) BCHEACHEMAOAMAOBEDNRA
SCHEMBL27651725 0.76 MEN1 (0.60) BCHEACHEMAOAMAOBEDNRA
SCHEMBL30786764 0.75 MAOA (0.71) MAOAESR1KDM5AESR2MGAM
SCHEMBL1230282 0.75 MAOA (0.71) MAOAESR1KDM5AESR2MGAM
SCHEMBL30711777 0.75 MAOA (0.71) MAOAESR1KDM5AESR2MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104557892-B A kind of mangiferin unit point derivative and its production and use 北京大学 2018-01-02 CN disclosed