SCHEMBL28198664

SCHEMBL28198664

CCCCCOc1cccc2oc3ccccc3c(=O)c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.62
CYP2A6 P11509 1/20 0.51
PGAM1 P18669 3/20 0.50
KCNA3 P22001 2/20 0.48
CDC25A P30304 1/20 0.47
CDC25B P30305 1/20 0.47
CDC25C P30307 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL5746390 0.86 MAOA (0.56) MAOACYP2A6XDH
SCHEMBL5749002 0.86 MAOA (0.56) MAOACYP2A6NPC1TOP2A
SCHEMBL6893811 0.85 MAOA (0.69) MAOACYP2A6PGAM1ALDH1A1KDM4E
SCHEMBL7381861 0.85 XDH (0.60) MAOAALDH1A1MAPTXDH
SCHEMBL7425703 0.85 XDH (0.60) MAOAALDH1A1MAPTXDH
SCHEMBL5746372 0.84 MAOA (0.60) MAOACYP2A6PGAM1KCNA3ALDH1A1
SCHEMBL5747126 0.84 MAOA (0.57) MAOACYP2A6ALDH1A1KDM4ENPC1
SCHEMBL5748795 0.84 HTR1B (0.58) MAOACYP2A6ALDH1A1KDM4ENPC1
SCHEMBL5798486 0.84 XDH (0.65) MAOAALDH1A1MAPTXDH
SCHEMBL5749070 0.84 MAOA (0.57) MAOACYP2A6NPC1TOP2A

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