SCHEMBL8612158

SCHEMBL8612158

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 5/20 0.47
ELANE P08246 12/20 0.47
XIAP P98170 2/20 0.47
MLX Q9UH92 1/20 0.47
CTSG P08311 1/20 0.43
ACE P12821 1/20 0.42

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
SCHEMBL8921278 1.00 CMA1 (0.47) CMA1ELANEXIAPMLXCTSG
SCHEMBL8610946 0.86 XIAP (0.54) CMA1ELANEXIAPMLXCTSG
SCHEMBL8922930 0.86 PREP (0.57) CMA1ELANEXIAPMLXCTSG
SCHEMBL8922945 0.86 XIAP (0.54) CMA1ELANEXIAPMLXCTSG
SCHEMBL8961434 0.86 PREP (0.57) CMA1ELANEXIAPMLXCTSG
SCHEMBL8610923 0.86 PREP (0.57) CMA1ELANEXIAPMLXCTSG
SCHEMBL8922480 0.82 PREP (0.49) CMA1ELANEXIAPMLXCTSG
SCHEMBL8961236 0.82 PREP (0.49) CMA1ELANEXIAPMLXCTSG
SCHEMBL8611208 0.82 PREP (0.49) CMA1ELANEXIAPMLXCTSG
SCHEMBL8961439 0.81 ELANE (0.69) CMA1ELANEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0693080-B1 NEW GLUCOCORTICOIDS SCHERING AG (DE) 1998-04-22 EP disclosed
US-5616573-A Glucocorticoids SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-01 US disclosed
EP-0693080-A1 NEW GLUCOCORTICOIDS SCHERING AKTIENGESELLSCHAFT (DE) 1996-01-24 EP disclosed
WO-1994022898-A1 NEW GLUCOCORTICOIDS SCHERING AKTIENGESELLSCHAFT (DE) 1994-10-13 WO disclosed