SCHEMBL8922399

SCHEMBL8922399

CC(C)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.51
CMA1 P23946 3/20 0.46
PREP P48147 2/20 0.43
XIAP P98170 1/20 0.43
MLX Q9UH92 1/20 0.43
CASP3 P42574 2/20 0.43
BIRC2 Q13490 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
SCHEMBL8921637 1.00 ELANE (0.51) ELANECMA1PREPXIAPMLX
SCHEMBL8923645 0.92 CMA1 (0.47) ELANECMA1
SCHEMBL31500752 0.91 CMA1 (0.45) ELANECMA1PREP
SCHEMBL8611807 0.89 ACE (0.49) ELANEPREP
SCHEMBL30640788 0.89 ACE (0.49) ELANEPREP
SCHEMBL29696690 0.89 ACE (0.49) ELANEPREP
SCHEMBL8611810 0.89 ACE (0.49) ELANEPREP
SCHEMBL8923650 0.87 CMA1 (0.44) ELANECMA1
SCHEMBL19708401 0.87 ELANE (0.44) ELANECMA1PREPBIRC2
SCHEMBL19708534 0.87 ELANE (0.44) ELANECMA1XIAPMLXCASP3

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-5616573-A Glucocorticoids SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-01 US disclosed