SCHEMBL7348917

SCHEMBL7348917

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

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 15/20 0.65
CTRC Q99895 2/20 0.58
KLK5 Q9Y337 2/20 0.57
ELANE P08246 2/20 0.56
F2 P00734 1/20 0.53

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
SCHEMBL7348910 1.00 CMA1 (0.65) CMA1CTRCKLK5ELANEF2
SCHEMBL7354560 0.93 KLK5 (0.59) CMA1CTRCKLK5F2
SCHEMBL7354569 0.93 KLK5 (0.59) CMA1CTRCKLK5F2
SCHEMBL7352303 0.90 F2 (0.59) CMA1CTRCKLK5F2
SCHEMBL7352316 0.90 F2 (0.59) CMA1CTRCKLK5F2
SCHEMBL7348799 0.89 MAPK1 (0.55) CMA1KLK5F2
SCHEMBL7348789 0.89 MAPK1 (0.55) CMA1KLK5F2
SCHEMBL4455011 0.84 CMA1 (0.73) CMA1CTRCELANE
SCHEMBL7381855 0.83 KLK5 (0.53) CMA1KLK5F2
SCHEMBL7381848 0.83 KLK5 (0.53) CMA1KLK5F2

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