SCHEMBL7229666

SCHEMBL7229666

CCN(CC)CCC(CCOc1cccc2oc3ccccc3c(=O)c12)N(CC)CC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.48
MAOA P21397 4/20 0.48
ACHE P22303 2/20 0.42
BCHE P06276 1/20 0.42
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
CYP2A6 P11509 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL7229906 0.94 XDH (0.52) XDHMAOAACHEBCHEMAPT
SCHEMBL7238515 0.89 MAOA (0.50) XDHMAOAACHEBCHEMAPT
SCHEMBL7237933 0.89 MAOA (0.52) XDHMAOAACHEBCHEMAPT
SCHEMBL5748445 0.85 MAOA (0.58) XDHMAOAACHEBCHEMAPT
SCHEMBL5798486 0.84 XDH (0.65) XDHMAOAACHEBCHEMAPT
SCHEMBL7381861 0.82 XDH (0.60) XDHMAOAACHEBCHEMAPT
SCHEMBL7425703 0.82 XDH (0.60) XDHMAOAACHEBCHEMAPT
SCHEMBL5747126 0.78 MAOA (0.57) XDHMAOAACHEBCHECYP2A6
SCHEMBL5746390 0.77 MAOA (0.56) XDHMAOAACHEBCHECYP2A6
SCHEMBL5745354 0.76 MAOA (0.61) XDHMAOAACHEBCHEMAPT

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
US-6613797-B2 New xanthone derivatives useful for treating protozoan diseases INTERLAB, INC. 2003-09-02 US disclosed