SCHEMBL8648449

SCHEMBL8648449

COC(=O)CCc1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.76
AKR1B1 P15121 1/20 0.76
CYSLTR1 Q9Y271 7/20 0.68
CYSLTR2 Q9NS75 5/20 0.68
ALOX5 P09917 2/20 0.63
GPBAR1 Q8TDU6 1/20 0.60

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
SCHEMBL22209124 0.88 FFAR1 (0.80) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL8800199 0.88 ALOX5 (0.72) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL8834916 0.88 FFAR1 (0.83) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL8709593 0.86 FFAR1 (0.81) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL22209116 0.86 FFAR1 (0.76) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL8649544 0.85 FFAR1 (0.97) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL9054252 0.85 CYSLTR1 (0.61) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL8649541 0.84 FFAR1 (0.78) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL9054244 0.84 CYSLTR1 (0.60) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL10410351 0.83 ALOX5 (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862557-A1 SYMMETRICAL bis-HETEROARYLMETHOXYPHENYLALKYL CARBOXYLATES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS Abbott Laboratories (US) 1998-09-09 EP disclosed
WO-1997012867-A1 SYMMETRICAL bis-HETEROARYLMETHOXYPHENYLALKYL CARBOXYLATES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1997-04-10 WO disclosed