SCHEMBL7813341

SCHEMBL7813341

O=C(O)COC1c2ccccc2COc2ccc(OCc3ccc4ccccc4n3)cc21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.48
CYSLTR1 Q9Y271 6/20 0.48
GPBAR1 Q8TDU6 3/20 0.48
CYSLTR2 Q9NS75 5/20 0.47
FFAR1 O14842 1/20 0.46
AKR1B1 P15121 1/20 0.46
ALOX5AP P20292 3/20 0.45
ALOX5 P09917 1/20 0.45

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
SCHEMBL7809755 0.91 LTB4R (0.41) LTB4RCYSLTR1GPBAR1CYSLTR2ALOX5AP
SCHEMBL7802773 0.91 LTB4R (0.40) LTB4RCYSLTR1GPBAR1CYSLTR2ALOX5AP
SCHEMBL7809578 0.89 LTB4R (0.41) LTB4RCYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL7801692 0.84 LTB4R (0.57) LTB4RCYSLTR1GPBAR1CYSLTR2ALOX5AP
SCHEMBL7808205 0.83 TBXA2R (0.47) LTB4RCYSLTR1GPBAR1CYSLTR2FFAR1
SCHEMBL7801398 0.82 CYSLTR1 (0.50) LTB4RCYSLTR1GPBAR1CYSLTR2FFAR1
SCHEMBL7809294 0.82 ALOX5AP (0.42) LTB4RCYSLTR1ALOX5AP
SCHEMBL7810763 0.79 LTB4R (0.46) LTB4RCYSLTR1GPBAR1CYSLTR2ALOX5AP
SCHEMBL7813575 0.79 ALOX5AP (0.39) LTB4RCYSLTR1ALOX5AP
SCHEMBL7809640 0.77 CYSLTR1 (0.46) CYSLTR1GPBAR1CYSLTR2FFAR1AKR1B1

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-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