SCHEMBL847832

SCHEMBL847832

CON1C(=O)CCC(=O)[C@]1(C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 9/20 0.49
ACE P12821 3/20 0.48
SLC6A2 P23975 1/20 0.46
OPRM1 P35372 2/20 0.46
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
XIAP P98170 1/20 0.43
REN P00797 1/20 0.43

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
SCHEMBL846697 0.87 FKBP4 (0.51) CMA1OPRM1OPRD1OPRK1
SCHEMBL2289363 0.84 ELANE (0.42) CMA1XIAP
SCHEMBL535732 0.82 ACE (0.40) ACEREN
SCHEMBL8205946 0.82 ACE (0.50) CMA1ACESLC6A2OPRM1XIAP
SCHEMBL8662040 0.81 ELANE (0.40) CMA1XIAP
SCHEMBL5494650 0.81 ELANE (0.40) CMA1XIAP
SCHEMBL230923 0.80 ELANE (0.33) CMA1
SCHEMBL1289940 0.80 CMA1 (0.54) CMA1ACESLC6A2XIAP
SCHEMBL3276266 0.78 ELANE (0.42) CMA1XIAP
SCHEMBL228960 0.78 ELANE (0.38) CMA1XIAP

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-2433138-A1 METHOD FOR DETECTING A WOUND INFECTION Technische Universität Graz (AT) 2012-03-28 EP disclosed
WO-2010133589-A1 METHOD FOR DETECTING A WOUND INFECTION TECHNISCHE UNIVERSITÄT GRAZ (AT) 2010-11-25 WO disclosed