Sugi Predict

Sugi Predict / Compounds / SCHEMBL7237937

SCHEMBL7237937

SCHEMBL7237937

CCCCCOc1cc(ON(CC)CC)cc2oc3ccccc3c(=O)c12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.53
▸ XDH P47989 1/20 0.49
▸ PGAM1 P18669 2/20 0.48
▸ ADORA3 P0DMS8 1/20 0.47
▸ TOP2A P11388 3/20 0.46
▸ BCHE P06276 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ CDC25A P30304 1/20 0.44
▸ CDC25B P30305 1/20 0.44
▸ CDC25C P30307 1/20 0.44

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
SCHEMBL7229669 0.87 MAOA (0.51) MAOAPGAM1ADORA3TOP2AACHE
SCHEMBL7237938 0.83 PGAM1 (0.50) MAOAXDHPGAM1ADORA3TOP2A
SCHEMBL28198664 0.80 MAOA (0.62) MAOAXDHPGAM1TOP2ACDC25A
SCHEMBL9314341 0.76 TOP2A (0.69) MAOATOP2A
SCHEMBL7425703 0.72 XDH (0.60) MAOAXDHBCHEACHE
SCHEMBL7381861 0.72 XDH (0.60) MAOAXDHBCHEACHE
SCHEMBL7229910 0.72 PGAM1 (0.55) PGAM1CDC25ACDC25C
SCHEMBL5798486 0.71 XDH (0.65) MAOAXDHBCHEACHE
SCHEMBL7425692 0.71 XDH (0.45) MAOAXDHADORA3TOP2ABCHE
SCHEMBL20594368 0.71 ACSL1 (0.72) MAOAXDHBCHEACHE

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