SCHEMBL7354560

SCHEMBL7354560

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

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.59
CMA1 P23946 15/20 0.58
F2 P00734 2/20 0.55
ACE P12821 1/20 0.52
PRSS1 P07477 1/20 0.51
CTRC Q99895 2/20 0.49
REN P00797 1/20 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
SCHEMBL7354569 1.00 KLK5 (0.59) KLK5CMA1F2ACEPRSS1
SCHEMBL7348917 0.93 CMA1 (0.65) KLK5CMA1F2CTRC
SCHEMBL7348910 0.93 CMA1 (0.65) KLK5CMA1F2CTRC
SCHEMBL7352316 0.92 F2 (0.59) KLK5CMA1F2ACEPRSS1
SCHEMBL7352303 0.92 F2 (0.59) KLK5CMA1F2ACEPRSS1
SCHEMBL7348799 0.91 MAPK1 (0.55) KLK5CMA1F2ACEPRSS1
SCHEMBL7348789 0.91 MAPK1 (0.55) KLK5CMA1F2ACEPRSS1
SCHEMBL9699092 0.89 CMA1 (0.67) KLK5CMA1F2ACEPRSS1
SCHEMBL9699084 0.89 CMA1 (0.67) KLK5CMA1F2ACEPRSS1
SCHEMBL7381848 0.85 KLK5 (0.53) KLK5CMA1F2ACEREN

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-1993025574-A1 INHIBITORS OF ANGIOTENSIN I CHYMASE(S) INCLUDING HUMAN HEART CHYMASE PFIZER INC. (US) 1993-12-23 WO disclosed