SCHEMBL8366869

SCHEMBL8366869

CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 12/20 0.52
▸ ACE P12821 3/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ REN P00797 2/20 0.49
▸ KLK5 Q9Y337 1/20 0.48

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
SCHEMBL8366870 0.91 ACE (0.45) CMA1ACEKMT2AREN
SCHEMBL8366882 0.91 ACE (0.54) CMA1ACERENKLK5
SCHEMBL25448062 0.89 ACE (0.57) CMA1ACEKLK5
SCHEMBL6435112 0.89 ACE (0.57) CMA1ACEKLK5
SCHEMBL8365035 0.87 CMA1 (0.56) CMA1ACEKMT2AKLK5
SCHEMBL7336587 0.87 CMA1 (0.56) CMA1ACEKMT2AKLK5
SCHEMBL7336591 0.87 CMA1 (0.56) CMA1ACEKMT2AKLK5
SCHEMBL8366873 0.86 SLC6A2 (0.50) ACE
SCHEMBL8365074 0.85 ACE (0.56) CMA1ACEKLK5
SCHEMBL7265463 0.84 CMA1 (0.54) CMA1ACEKMT2AKLK5

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
WO-2003057722-A2 CYCLIC TETRAPEPTIDE COMPOUND AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 — — WO disclosed
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