SCHEMBL7871802

SCHEMBL7871802

Cc1ccc2c(c1)SCC(NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N2CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.49
ACE P12821 4/20 0.49
MME P08473 2/20 0.49
KLK7 P49862 1/20 0.49
KLK5 Q9Y337 1/20 0.49
CTSS P25774 1/20 0.47
SCN9A Q15858 4/20 0.46
PPARA Q07869 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
SCHEMBL7871804 1.00 SRC (0.49) SRCACEMMEKLK7KLK5
SCHEMBL7876237 0.93 SRC (0.49) SRCACEMMEKLK7KLK5
SCHEMBL7876236 0.93 SRC (0.49) SRCACEMMEKLK7KLK5
SCHEMBL7876232 0.93 ACE (0.58) SRCACEMMEKLK7KLK5
SCHEMBL7876234 0.93 ACE (0.58) SRCACEMMEKLK7KLK5
SCHEMBL7871813 0.86 SRC (0.55) SRCACEMMEKLK7KLK5
SCHEMBL7871815 0.86 SRC (0.55) SRCACEMMEKLK7KLK5
SCHEMBL7430083 0.75 ACE (0.61) SRCACEMME
SCHEMBL5321344 0.75 ACE (0.61) SRCACEMME
SCHEMBL7872616 0.73 ACE (0.47) ACEMME

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