SCHEMBL7876232

SCHEMBL7876232

CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)NC1CSc2ccccc2N(CC(=O)O)C1=O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.58
MME P08473 3/20 0.58
SRC P12931 3/20 0.56
KLK7 P49862 1/20 0.51
KLK5 Q9Y337 1/20 0.51
SCN9A Q15858 4/20 0.50
CTSS P25774 1/20 0.50

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
SCHEMBL7876234 1.00 ACE (0.58) ACEMMESRCKLK7KLK5
SCHEMBL7871802 0.93 SRC (0.49) ACEMMESRCKLK7KLK5
SCHEMBL7871804 0.93 SRC (0.49) ACEMMESRCKLK7KLK5
SCHEMBL7871813 0.92 SRC (0.55) ACEMMESRCKLK7KLK5
SCHEMBL7871815 0.92 SRC (0.55) ACEMMESRCKLK7KLK5
SCHEMBL7876236 0.85 SRC (0.49) ACEMMESRCKLK7KLK5
SCHEMBL7876237 0.85 SRC (0.49) ACEMMESRCKLK7KLK5
SCHEMBL7430083 0.83 ACE (0.61) ACEMMESRC
SCHEMBL5321344 0.83 ACE (0.61) ACEMMESRC
SCHEMBL10855731 0.78 ACE (0.52) ACEMMESRC

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-6316413-B1 HETEROCYCLIC OLIGOPEPTIDE DERIVATIVES FOURNIER INDUSTRIE ET SANTE (FR) 2001-11-13 US disclosed