SCHEMBL17081787

SCHEMBL17081787

CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)N

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 7/20 0.56
▸ CMA1 P23946 10/20 0.53
▸ KLK5 Q9Y337 1/20 0.53
▸ F2 P00734 1/20 0.53
▸ PRSS1 P07477 1/20 0.53
▸ ACE2 Q9BYF1 4/20 0.49

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
SCHEMBL10021917 1.00 ACE (0.56) ACECMA1KLK5F2PRSS1
SCHEMBL10053455 1.00 ACE (0.56) ACECMA1KLK5F2PRSS1
SCHEMBL5971091 0.90 ACE (0.59) ACECMA1KLK5F2PRSS1
SCHEMBL7321218 0.86 ACE (0.60) ACECMA1KLK5F2PRSS1
SCHEMBL8365663 0.84 ACE (0.56) ACECMA1KLK5F2PRSS1
SCHEMBL28002546 0.84 KLK5 (0.69) ACECMA1KLK5F2PRSS1
SCHEMBL7268512 0.84 KLK5 (0.69) ACECMA1KLK5F2PRSS1
SCHEMBL28002552 0.84 KLK5 (0.69) ACECMA1KLK5F2PRSS1
SCHEMBL12658455 0.84 KLK5 (0.69) ACECMA1KLK5F2PRSS1
SCHEMBL8366819 0.83 DPP4 (0.58) ACEKLK5F2PRSS1

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-9133237-B2 Cyclic peptides with an anti-parasitic activity UNIVERSITE JOSEPH FOURIER (GRENOBLE 1) (FR) 2015-09-15 — — US disclosed
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