SCHEMBL7809755

SCHEMBL7809755

O=C(O)COC1c2ccccc2COc2ccc(OCc3ccc4ccc(Cl)cc4n3)cc21

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.41
CYSLTR1 Q9Y271 6/20 0.40
CYSLTR2 Q9NS75 4/20 0.40
ALOX5AP P20292 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39

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
SCHEMBL7802773 0.94 LTB4R (0.40) LTB4RCYSLTR1CYSLTR2ALOX5APGPBAR1
SCHEMBL7813341 0.91 LTB4R (0.48) LTB4RCYSLTR1CYSLTR2ALOX5APGPBAR1
SCHEMBL7809294 0.85 ALOX5AP (0.42) LTB4RCYSLTR1ALOX5AP
SCHEMBL7801832 0.85 LTB4R (0.39) LTB4RCYSLTR1CYSLTR2ALOX5APGPBAR1
SCHEMBL7806673 0.85 LTB4R (0.47) LTB4RCYSLTR1CYSLTR2ALOX5APGPBAR1
SCHEMBL7809578 0.85 LTB4R (0.41) LTB4RCYSLTR1CYSLTR2ALOX5AP
SCHEMBL7809802 0.84 TBXA2R (0.43) LTB4RALOX5AP
SCHEMBL7806727 0.84 LTB4R (0.44) LTB4RCYSLTR1CYSLTR2ALOX5APGPBAR1
SCHEMBL7802326 0.84 TBXA2R (0.44)
SCHEMBL7801524 0.82 LTB4R (0.41) LTB4RCYSLTR1CYSLTR2ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0685478-B1 QUINOLINE DERIVATIVES UBE INDUSTRIES (JP) 2001-10-24 EP claimed
EP-0685478-A1 QUINOLINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 1995-12-06 EP claimed
EP-0685478-B1 QUINOLINE DERIVATIVES UBE INDUSTRIES (JP) 2001-10-24 EP disclosed
US-5591752-A LEUKOTRIENE ANTAGONIST, ANTIALLERGEN, ANTIINFLAMMATORY AGENT, DIBENZ(B,E)OXEPINE UBE INDUSTRIES, LTD. (JP) 1997-01-07 US disclosed
EP-0685478-A1 QUINOLINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 1995-12-06 EP disclosed