SCHEMBL7813573

SCHEMBL7813573

O=C(O)CSc1ccc2c(c1)COc1ccc(OCc3ccc4ccc(Cl)cc4n3)cc1C2O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 4/20 0.39
CYSLTR2 Q9NS75 2/20 0.39
ALOX5AP P20292 2/20 0.38
LTB4R Q15722 2/20 0.38
ALOX5 P09917 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35

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
SCHEMBL7801648 0.90 CYSLTR1 (0.36) CYSLTR1CYSLTR2ALOX5AP
SCHEMBL7813524 0.84 CYSLTR1 (0.39) CYSLTR1CYSLTR2ALOX5APALOX5
SCHEMBL7809746 0.83 LTB4R (0.41) CYSLTR1CYSLTR2ALOX5APLTB4R
SCHEMBL7809612 0.83 ALOX5AP (0.43) CYSLTR1CYSLTR2ALOX5APLTB4R
SCHEMBL7806673 0.83 LTB4R (0.47) CYSLTR1CYSLTR2ALOX5APLTB4RGPBAR1
SCHEMBL7801575 0.81 LTB4R (0.40) CYSLTR1CYSLTR2ALOX5APLTB4RALOX5
SCHEMBL7809802 0.81 TBXA2R (0.43) ALOX5APLTB4RALOX5
SCHEMBL7810728 0.78 LTB4R (0.42) CYSLTR1CYSLTR2ALOX5APLTB4RGPBAR1
SCHEMBL7809755 0.78 LTB4R (0.41) CYSLTR1CYSLTR2ALOX5APLTB4RGPBAR1
SCHEMBL7806750 0.78 TBXA2R (0.42) CYSLTR1CYSLTR2

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