SCHEMBL28064283

SCHEMBL28064283

COc1cc(C=CC(=O)c2c(O)cc(OC)cc2OC)c(OC)c(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.70
MAOB P27338 1/20 0.70
ABCG2 Q9UNQ0 7/20 0.69
NFKB1 P19838 1/20 0.66
DPP4 P27487 1/20 0.66
NFKB2 Q00653 1/20 0.66
RELA Q04206 1/20 0.66
CYP3A4 P08684 6/20 0.64
MAPT P10636 5/20 0.64
KMT2A Q03164 4/20 0.64
TP53 P04637 2/20 0.64
ATM Q13315 1/20 0.64
HSD17B10 Q99714 1/20 0.64
MEN1 O00255 3/20 0.63
MAPK1 P28482 3/20 0.63
KDM4E B2RXH2 2/20 0.63
HPGD P15428 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
USP2 O75604 2/20 0.63
MCL1 Q07820 1/20 0.63

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
SCHEMBL28064281 1.00 MAOA (0.70) MAOAMAOBABCG2NFKB1DPP4
SCHEMBL7195693 0.87 ABCG2 (0.56) MAOAMAOBABCG2NFKB1DPP4
SCHEMBL7195677 0.87 ABCG2 (0.56) MAOAMAOBABCG2NFKB1DPP4
SCHEMBL5426849 0.87 MAOA (0.76) MAOAMAOBABCG2NFKB1DPP4
SCHEMBL5426854 0.87 MAOA (0.76) MAOAMAOBABCG2NFKB1DPP4
SCHEMBL30545313 0.86 ABCG2 (0.82) MAOAMAOBABCG2NFKB1DPP4
SCHEMBL30138888 0.86 MAOA (0.70) MAOAMAOBABCG2NFKB1DPP4
SCHEMBL5085536 0.85 MAOA (0.73) MAOAMAOBABCG2NFKB1DPP4
SCHEMBL5085537 0.85 MAOA (0.73) MAOAMAOBABCG2NFKB1DPP4
SCHEMBL10849424 0.85 MAOA (0.76) MAOAMAOBABCG2NFKB1DPP4

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-105534899-A Delivery system based on miRNA-34a micromolecule regulator and preparation method and application of delivery system UNIV BEIJING TECHNOLOGY 2016-05-04 CN disclosed