SCHEMBL6453073

SCHEMBL6453073

COc1ccccc1C(=O)N[C@]1(OC)C(=O)N2C(C(=O)OCc3ccc(C(=O)O)cc3)=C(CSc3nnnn3C)CO[C@@H]21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 20/20 1.00
F2 P00734 2/20 0.90
CTSG P08311 2/20 0.90
PRSS1 P07477 1/20 0.90
ELANE P08246 1/20 0.90
CTRC Q99895 1/20 0.64

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
SCHEMBL6459484 0.93 CMA1 (0.88) CMA1F2CTSGPRSS1ELANE
SCHEMBL6438726 0.90 CMA1 (0.82) CMA1F2CTSGPRSS1ELANE
SCHEMBL5620407 0.83 CMA1 (1.00) CMA1F2CTSGPRSS1ELANE
SCHEMBL6471075 0.82 CMA1 (0.77) CMA1F2CTSGPRSS1ELANE
SCHEMBL6456450 0.78 CMA1 (0.85) CMA1F2CTSGPRSS1ELANE
SCHEMBL6469309 0.78 CMA1 (0.68) CMA1F2CTSGPRSS1ELANE
SCHEMBL14196601 0.77 CMA1 (0.89) CMA1
SCHEMBL6479887 0.77 CMA1 (0.71) CMA1F2CTSGPRSS1ELANE
SCHEMBL6453077 0.76 CMA1 (0.61) CMA1F2CTSGPRSS1ELANE
Moxalactam SCHEMBL49017 0.74 PTGS1 (1.00) CMA1

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