SCHEMBL9633653

SCHEMBL9633653

COC(=O)c1ccc(Cc2cccc3ccc(NC(=O)CC4CCCC4)cc23)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 12/20 0.60
CYSLTR1 Q9Y271 12/20 0.60
NAMPT P43490 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
SCHEMBL9633815 0.93 CYSLTR2 (0.69) CYSLTR2CYSLTR1
SCHEMBL9633734 0.84 CYSLTR1 (0.73) CYSLTR2CYSLTR1
SCHEMBL8951494 0.83 CYSLTR2 (0.59) CYSLTR2CYSLTR1NAMPT
SCHEMBL8951243 0.83 CYSLTR1 (0.71) CYSLTR2CYSLTR1
SCHEMBL8951199 0.82 CYSLTR2 (0.87) CYSLTR2CYSLTR1
SCHEMBL8951488 0.80 CYSLTR2 (0.88) CYSLTR2CYSLTR1
SCHEMBL8951448 0.79 CYSLTR2 (0.72) CYSLTR2CYSLTR1
SCHEMBL9634205 0.79 CYSLTR2 (0.53) CYSLTR2CYSLTR1NAMPT
SCHEMBL8951232 0.79 CYSLTR2 (0.71) CYSLTR2CYSLTR1
SCHEMBL8998286 0.78 EPHX2 (0.56) CYSLTR2CYSLTR1NAMPT

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-0337765-B1 ACYLSULFONAMIDE DERIVATIVES OF ALPHA-CARBOCYCLYLTOLUIC ACIDS USED AS LEUKOTRIENE ANTAGONISTS ICI AMERICAS INC. (US) 1992-10-14 EP disclosed
US-5095038-A Antiinflammatory, antiallergens ICI AMERICAS INC. (US) 1992-03-10 US disclosed
EP-0337765-A2 Acylsulfonamide derivatives of alpha-carbocyclyltoluic acids used as leukotriene antagonists ICI AMERICAS INC. (US) 1989-10-18 EP disclosed