SCHEMBL8908585

SCHEMBL8908585

O=C(/C=N/O)OCc1ccc(OCc2ccc3cc(F)ccc3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.46
CYSLTR1 Q9Y271 5/20 0.45
CYSLTR2 Q9NS75 3/20 0.45
PPARG P37231 1/20 0.44
ALOX5AP P20292 3/20 0.44
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE10A Q9Y233 2/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
FFAR1 O14842 1/20 0.43
AKR1B1 P15121 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.41
MAOB P27338 1/20 0.40

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
SCHEMBL8669643 0.74 CYSLTR1 (0.72) ALOX5CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL2566640 0.73 CYSLTR2 (0.56) ALOX5CYSLTR1CYSLTR2PDE4APDE4B
SCHEMBL7604022 0.73 ALOX5 (0.57) ALOX5CYSLTR1CYSLTR2ALOX5APPDE4A
SCHEMBL8557912 0.73 ALOX5 (0.55) ALOX5CYSLTR1CYSLTR2
SCHEMBL2564677 0.73 PDE10A (0.54) ALOX5CYSLTR1CYSLTR2PDE4APDE4B
SCHEMBL8557925 0.73 ALOX5 (0.56) ALOX5CYSLTR1CYSLTR2ALOX5APPDE4A
SCHEMBL8557903 0.73 ALOX5 (0.56) ALOX5CYSLTR1CYSLTR2ALOX5APPDE4A
SCHEMBL2566437 0.70 CYSLTR2 (0.53) ALOX5CYSLTR1CYSLTR2ALOX5APPDE4A
SCHEMBL8557907 0.69 ALOX5 (0.49) ALOX5CYSLTR1CYSLTR2ALOX5APPDE4A
SCHEMBL9387167 0.69 CYSLTR1 (0.56) CYSLTR1CYSLTR2PDE10AGPBAR1

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
WO-1997012866-A1 BIS-HETEROARYLYLMETHOXYPHENYLKETONE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1997-04-10 WO disclosed