SCHEMBL8736506

SCHEMBL8736506

CC(Oc1ccc2ccc(COS(C)(=O)=O)cc2c1)c1ccc2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 8/20 0.42
ALOX5AP P20292 1/20 0.41
LTB4R Q15722 5/20 0.40
ALOX5 P09917 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 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
SCHEMBL8736103 0.79 CYSLTR1 (0.62) CYSLTR1ALOX5
SCHEMBL8736505 0.77 CYSLTR1 (0.53) CYSLTR1
SCHEMBL28272270 0.76 CYP1A2 (0.44)
SCHEMBL9585620 0.71 AKR1C3 (0.57) CYSLTR1ALOX5APLTB4RALOX5PDE4A
SCHEMBL9323970 0.71 ALDH1A1 (0.39)
SCHEMBL8734305 0.70 CYSLTR1 (0.61) CYSLTR1
SCHEMBL9703797 0.69 PTGS2 (0.62)
SCHEMBL9446975 0.69 POLB (0.49) ALOX5APLTB4R
SCHEMBL8734300 0.68 ALOX5 (0.59) CYSLTR1ALOX5PDE4APDE4BPDE4C
SCHEMBL9828316 0.68 CYSLTR1 (0.54) CYSLTR1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874826-A1 NAPHTHALENE QUINOLINES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1998-11-04 EP disclosed
WO-1997024331-A1 NAPHTHALENE QUINOLINES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-07-10 WO disclosed