SCHEMBL8735636

SCHEMBL8735636

COC(=O)Cc1ccc(CCNS(=O)(=O)c2ccc3ccc(OCc4ccc5ccccc5n4)cc3c2)cc1

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.59
CYP19A1 P11511 1/20 0.51
ALOX5 P09917 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL8732748 0.91 CYSLTR1 (0.62) CYSLTR1CYP19A1
SCHEMBL8732426 0.90 CYSLTR1 (0.61) CYSLTR1ALDH1A1
SCHEMBL8736498 0.90 CYSLTR1 (0.63) CYSLTR1CYP19A1
SCHEMBL8733757 0.88 CYSLTR1 (0.72) CYSLTR1
SCHEMBL8734190 0.85 CYSLTR1 (0.81) CYSLTR1ALOX5
SCHEMBL8735635 0.85 CYSLTR1 (0.68) CYSLTR1ALOX5
SCHEMBL7808132 0.81 ALOX5 (0.63) CYSLTR1ALOX5
SCHEMBL8736040 0.80 CYSLTR1 (0.60) CYSLTR1
SCHEMBL8800199 0.80 ALOX5 (0.72) CYSLTR1ALOX5
SCHEMBL8736452 0.79 CYSLTR1 (0.74) CYSLTR1

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