SCHEMBL7659218

SCHEMBL7659218

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

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 15/20 0.52
KMT2A Q03164 3/20 0.48
KLK5 Q9Y337 2/20 0.46
CTRC Q99895 2/20 0.45
MEN1 O00255 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL7663204 0.91 CMA1 (0.53) CMA1KMT2AKLK5CTRCMEN1
SCHEMBL7668192 0.89 CAPN1 (0.49) CMA1
SCHEMBL7664392 0.89 ELANE (0.47) CMA1
SCHEMBL7671133 0.88 CMA1 (0.44) CMA1KMT2AKLK5CTRCMEN1
SCHEMBL7655898 0.88 ACE2 (0.46) CMA1
SCHEMBL7656163 0.86 CCR1 (0.44) CMA1
SCHEMBL5711366 0.86 CMA1 (0.58) CMA1KMT2ACTRCMEN1ATM
SCHEMBL7665779 0.86 PREP (0.38) CMA1KLK5
SCHEMBL7658320 0.85 CMA1 (0.45) CMA1KMT2AKLK5CTRC
SCHEMBL7658100 0.85 CMA1 (0.45) CMA1KMT2AKLK5CTRC

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