SCHEMBL8559587

SCHEMBL8559587

O=C(O)/C(=N\O)C(c1ccc(OCc2nc3ccccc3o2)cc1)c1ccc(OCc2nc3ccccc3o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.55
PDE10A Q9Y233 2/20 0.47
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
ALOX5AP P20292 1/20 0.39
PPARG P37231 3/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
XDH P47989 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL8559598 1.00 ALOX5 (0.55) ALOX5PDE10ANPC1MAPTRAB9A
SCHEMBL8557021 0.80 ALOX5 (0.52) ALOX5CYSLTR2CYSLTR1
SCHEMBL8554925 0.79 GPBAR1 (0.61) ALOX5CYSLTR2CYSLTR1
SCHEMBL8555246 0.79 GPBAR1 (0.61) ALOX5CYSLTR2CYSLTR1
SCHEMBL8555687 0.78 GPBAR1 (0.60) ALOX5CYSLTR2CYSLTR1
SCHEMBL8555104 0.78 GPBAR1 (0.60) ALOX5CYSLTR2CYSLTR1
SCHEMBL10547054 0.78 NPC1 (0.59) ALOX5PDE10ANPC1MAPTRAB9A
SCHEMBL8559593 0.78 ALOX5 (0.72) ALOX5PDE10A
SCHEMBL8626714 0.77 NPC1 (0.60) ALOX5NPC1MAPTRAB9AALOX5AP
SCHEMBL8626737 0.77 NPC1 (0.60) ALOX5NPC1MAPTRAB9AALOX5AP

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-5714488-A FOR TREATMENT OF ALLERGIC AND INFLAMMATORY DISEASE STATES ABBOTT LABORATORIES (US) 1998-02-03 US disclosed