SCHEMBL8800566

SCHEMBL8800566

N=C(CCC(c1ccc(F)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1)C(O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.56
HDAC6 Q9UBN7 1/20 0.56
CYSLTR2 Q9NS75 6/20 0.54
CYSLTR1 Q9Y271 6/20 0.54
GPBAR1 Q8TDU6 1/20 0.53
FFAR1 O14842 1/20 0.52
AKR1B1 P15121 1/20 0.52
PDE10A Q9Y233 5/20 0.49
HTR2B P41595 1/20 0.48

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
SCHEMBL8799485 0.90 ALOX5 (0.56) ALOX5HDAC6CYSLTR2CYSLTR1GPBAR1
SCHEMBL8814089 0.85 ALOX5 (0.55) ALOX5HDAC6CYSLTR2CYSLTR1GPBAR1
SCHEMBL8799828 0.80 CYSLTR2 (0.52) ALOX5HDAC6CYSLTR2CYSLTR1GPBAR1
SCHEMBL7592647 0.78 GPBAR1 (0.54) ALOX5HDAC6CYSLTR2CYSLTR1GPBAR1
SCHEMBL8800840 0.78 FFAR1 (0.61) ALOX5CYSLTR2CYSLTR1GPBAR1FFAR1
SCHEMBL10547699 0.77 CYSLTR1 (0.76) ALOX5CYSLTR2CYSLTR1GPBAR1FFAR1
SCHEMBL7603712 0.77 GPBAR1 (0.70) ALOX5HDAC6CYSLTR2CYSLTR1GPBAR1
SCHEMBL8965904 0.76 FFAR1 (0.63) ALOX5CYSLTR2CYSLTR1GPBAR1FFAR1
SCHEMBL3519488 0.76 GPBAR1 (0.68) ALOX5HDAC6CYSLTR2CYSLTR1GPBAR1
SCHEMBL8800164 0.75 ALOX5 (0.81) ALOX5HDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772594-A1 IMINOXYCARBOXYLATES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS Abbott Laboratories (US) 1997-05-14 EP disclosed
WO-1996002507-A1 IMINOXYCARBOXYLATES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1996-02-01 WO disclosed