SCHEMBL8544696

SCHEMBL8544696

O=C(O)c1ccc2c(Cc3ccc(OCc4ccc5ccccc5n4)cc3)c[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.63
CYSLTR1 Q9Y271 9/20 0.56
FFAR1 O14842 1/20 0.53
AKR1B1 P15121 1/20 0.53
CYSLTR2 Q9NS75 3/20 0.52
ALOX5 P09917 1/20 0.51

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
SCHEMBL8539274 0.93 GPBAR1 (0.63) GPBAR1CYSLTR1FFAR1AKR1B1CYSLTR2
SCHEMBL8543455 0.91 CYSLTR1 (0.61) GPBAR1CYSLTR1CYSLTR2ALOX5
SCHEMBL9530636 0.90 GPBAR1 (0.62) GPBAR1CYSLTR1ALOX5
SCHEMBL8541275 0.84 CYSLTR1 (0.49) GPBAR1CYSLTR1FFAR1AKR1B1CYSLTR2
SCHEMBL8539275 0.82 CYSLTR1 (0.64) GPBAR1CYSLTR1CYSLTR2ALOX5
SCHEMBL8540828 0.81 GPBAR1 (0.54) GPBAR1CYSLTR1FFAR1AKR1B1CYSLTR2
SCHEMBL8540806 0.81 CYSLTR1 (0.44) GPBAR1CYSLTR1FFAR1AKR1B1CYSLTR2
SCHEMBL8544411 0.80 GPBAR1 (0.61) GPBAR1CYSLTR1FFAR1AKR1B1ALOX5
SCHEMBL7718896 0.79 GPBAR1 (0.90) GPBAR1CYSLTR1FFAR1AKR1B1CYSLTR2
SCHEMBL7457682 0.79 GPBAR1 (0.90) GPBAR1CYSLTR1FFAR1AKR1B1CYSLTR2

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-0539117-B1 Compounds useful as leukotriene antagonists LILLY CO ELI (GB) 1998-03-11 EP disclosed
US-5410061-A Leukotriene antagonist LILLY INDUSTRIES LIMITED (GB) 1995-04-25 US disclosed
EP-0539117-A1 Compounds useful as leukotriene antagonists LILLY INDUSTRIES LIMITED (GB) 1993-04-28 EP disclosed