SCHEMBL7801429

SCHEMBL7801429

SC1c2ccccc2COc2ccc(OCc3ccc4ccc(Cl)cc4n3)cc21

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.43
PDE10A Q9Y233 3/20 0.39
ALOX5AP P20292 1/20 0.39
CYSLTR2 Q9NS75 2/20 0.39
CYSLTR1 Q9Y271 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX5 P09917 1/20 0.37

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
SCHEMBL7806727 0.90 LTB4R (0.44) LTB4RPDE10AALOX5APCYSLTR2CYSLTR1
SCHEMBL7806673 0.89 LTB4R (0.47) LTB4RPDE10AALOX5APCYSLTR2CYSLTR1
SCHEMBL7810729 0.84 TBXA2R (0.41) LTB4R
SCHEMBL7801524 0.83 LTB4R (0.41) LTB4RALOX5APCYSLTR2CYSLTR1
SCHEMBL7806716 0.83 LTB4R (0.47) LTB4RPDE10AALOX5APCYSLTR1KDM4E
SCHEMBL7801832 0.82 LTB4R (0.39) LTB4RPDE10AALOX5APCYSLTR2CYSLTR1
SCHEMBL7809755 0.82 LTB4R (0.41) LTB4RALOX5APCYSLTR2CYSLTR1
SCHEMBL7808112 0.82 LTB4R (0.38) LTB4R
SCHEMBL7809802 0.82 TBXA2R (0.43) LTB4RALOX5APALOX5
SCHEMBL7802326 0.81 TBXA2R (0.44)

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