SCHEMBL8800840

SCHEMBL8800840

N=C(CCc1ccc(F)cc1)C(c1ccc(OCc2ccc3ccccc3n2)cc1)C(O)CC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.61
AKR1B1 P15121 1/20 0.61
CYSLTR1 Q9Y271 9/20 0.55
CYSLTR2 Q9NS75 7/20 0.55
ALOX5 P09917 4/20 0.54
ALOX5AP P20292 1/20 0.49
GPBAR1 Q8TDU6 1/20 0.47

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
SCHEMBL8965904 0.83 FFAR1 (0.63) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL8799828 0.79 CYSLTR2 (0.52) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL8800566 0.78 ALOX5 (0.56) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL8966509 0.77 ALOX5 (0.55) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL9068707 0.77 ALOX5 (0.61) CYSLTR1CYSLTR2ALOX5
SCHEMBL8649544 0.76 FFAR1 (0.97) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL9460607 0.75 ALOX5 (0.70) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL3519488 0.75 GPBAR1 (0.68) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL9459821 0.75 ALOX5 (0.72) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL9459875 0.75 ALOX5 (0.71) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5

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 3 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 claimed
WO-1996002507-A1 IMINOXYCARBOXYLATES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1996-02-01 WO claimed
US-5512581-A ANTIINFLAMMATORY AGENT ABBOTT LABORATORIES (US) 1996-04-30 US disclosed