SCHEMBL7801372

SCHEMBL7801372

OC1c2ccccc2COc2ccc(OCc3ccc4cc(F)c(Cl)cc4n3)cc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.43
ALOX5AP P20292 2/20 0.36
PDE10A Q9Y233 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL7806836 0.90 LTB4R (0.38) LTB4RALOX5APCYSLTR2CYSLTR1
SCHEMBL4052528 0.89 LTB4R (0.43) LTB4RALOX5APPDE10ACYSLTR2CYSLTR1
SCHEMBL7801438 0.87 LTB4R (0.47) LTB4RPDE10ACYSLTR2CYSLTR1
SCHEMBL7806673 0.87 LTB4R (0.47) LTB4RALOX5APPDE10ACYSLTR2CYSLTR1
SCHEMBL7806716 0.86 LTB4R (0.47) LTB4RALOX5APPDE10ACYSLTR1MEN1
SCHEMBL7808147 0.86 LTB4R (0.47) LTB4RALOX5APPDE10ACYSLTR2CYSLTR1
SCHEMBL7808129 0.86 LTB4R (0.38) LTB4RALOX5APCYSLTR2CYSLTR1ALOX5
SCHEMBL7806693 0.85 LTB4R (0.41) LTB4RCYSLTR2CYSLTR1
SCHEMBL7810454 0.85 LTB4R (0.41) LTB4RALOX5APPDE10ACYSLTR2CYSLTR1
SCHEMBL5331476 0.85 TBXA2R (0.42)

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