SCHEMBL6456450

SCHEMBL6456450

C=CCOC(=O)Cn1nnnc1SCC1=C(C(=O)OCc2cccc(C)c2)N2C(=O)[C@](NC(=O)c3ccccc3OC)(OC)[C@H]2OC1

nearest known ligand 0.85

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 20/20 0.85
F2 P00734 2/20 0.72
CTSG P08311 2/20 0.72
CTRC Q99895 1/20 0.72
PRSS1 P07477 1/20 0.59
ELANE P08246 1/20 0.59

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
SCHEMBL5620407 0.92 CMA1 (1.00) CMA1F2CTSGCTRCPRSS1
SCHEMBL6469309 0.89 CMA1 (0.68) CMA1F2CTSGCTRCPRSS1
SCHEMBL6459484 0.81 CMA1 (0.88) CMA1F2CTSGCTRCPRSS1
SCHEMBL6471075 0.80 CMA1 (0.77) CMA1F2CTSGCTRCPRSS1
SCHEMBL6453073 0.78 CMA1 (1.00) CMA1F2CTSGCTRCPRSS1
SCHEMBL6479887 0.75 CMA1 (0.71) CMA1F2CTSGCTRCPRSS1
SCHEMBL6438726 0.75 CMA1 (0.82) CMA1F2CTSGPRSS1ELANE
SCHEMBL5620409 0.72 CMA1 (0.64) CMA1F2CTSGCTRCPRSS1
SCHEMBL6456298 0.69 CMA1 (0.59) CMA1F2CTSGCTRCPRSS1
SCHEMBL6453077 0.64 CMA1 (0.61) CMA1F2CTSGCTRCPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050222193-A1 Novel combination for the treatment of airway disorders ALTANA PHARMA AG (DE) 2005-10-06 US disclosed