SCHEMBL7658100

SCHEMBL7658100

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CSC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)c1ncco1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 15/20 0.45
KMT2A Q03164 1/20 0.41
CTRC Q99895 2/20 0.41
KLK5 Q9Y337 1/20 0.41
BACE1 P56817 2/20 0.40

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
SCHEMBL7669244 0.91 CAPN1 (0.45) CMA1
SCHEMBL7658320 0.86 CMA1 (0.45) CMA1KMT2ACTRCKLK5BACE1
SCHEMBL7668464 0.86 CMA1 (0.44) CMA1KMT2ACTRCKLK5
SCHEMBL7661645 0.85 CMA1 (0.40) CMA1KMT2AKLK5BACE1
SCHEMBL5711349 0.85 CMA1 (0.50) CMA1KMT2ACTRC
SCHEMBL7659218 0.85 CMA1 (0.52) CMA1KMT2ACTRCKLK5
SCHEMBL7663204 0.84 CMA1 (0.53) CMA1KMT2ACTRCKLK5
SCHEMBL7665089 0.82 CMA1 (0.44) CMA1KMT2ACTRCKLK5
SCHEMBL5711366 0.79 CMA1 (0.58) CMA1KMT2ACTRC
SCHEMBL6347664 0.79 KLK5 (0.51) KMT2AKLK5BACE1

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-6410576-B1 ANTIINFLAMMATORY AGENTS; CARDIOVASCULAR DISORDERS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-25 US disclosed