SCHEMBL6471075

SCHEMBL6471075

COc1ccccc1C(=O)N[C@]1(OC)C(=O)N2C(C(=O)O)=C(CSc3nnnn3CC(=O)O)CO[C@@H]21

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 19/20 0.77
F2 P00734 2/20 0.63
CTSG P08311 2/20 0.63
PRSS1 P07477 1/20 0.63
ELANE P08246 1/20 0.63
CTRC Q99895 1/20 0.62
PTGS1 P23219 1/20 0.58

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
SCHEMBL6479887 0.94 CMA1 (0.71) CMA1F2CTSGPRSS1ELANE
SCHEMBL6438726 0.91 CMA1 (0.82) CMA1F2CTSGPRSS1ELANE
SCHEMBL6469309 0.91 CMA1 (0.68) CMA1F2CTSGPRSS1ELANE
SCHEMBL5620407 0.88 CMA1 (1.00) CMA1F2CTSGPRSS1ELANE
SCHEMBL6453073 0.82 CMA1 (1.00) CMA1F2CTSGPRSS1ELANE
SCHEMBL6456455 0.80 CMA1 (0.68) CMA1F2CTSGPRSS1ELANE
SCHEMBL6459484 0.80 CMA1 (0.88) CMA1F2CTSGPRSS1ELANE
SCHEMBL6456450 0.80 CMA1 (0.85) CMA1F2CTSGPRSS1ELANE
SCHEMBL6453077 0.74 CMA1 (0.61) CMA1F2CTSGPRSS1ELANE
Flomoxef SCHEMBL14423926 0.74 PTGS1 (0.57) CMA1PTGS1

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
WO-2005074932-A1 THE USE OF (S) - PANTOPRAZOLE MAGNESIUM FOR THE TREATMENT OF AIRWAY DISORDERS ALTANA PHARMA AG (DE) 2005-08-18 WO disclosed
US-20050165041-A1 Combination for the treatment of airway disorders ALTANA PHARMA AG (DE) 2005-07-28 US disclosed