SCHEMBL11277937

SCHEMBL11277937

CCCCOC(=O)NC(Cc1ccccc1)C(=O)CC(C)C(=O)N1CCC[C@H]1C(=O)OC

nearest known ligand 0.87

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 14/20 0.87
▸ ACE2 Q9BYF1 9/20 0.87
▸ KLK5 Q9Y337 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ATM Q13315 1/20 0.45
▸ L3MBTL1 Q9Y468 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
SCHEMBL11280512 0.93 ACE (1.00) ACEACE2
SCHEMBL11121801 0.90 ACE (0.70) ACEACE2KLK5ALDH1A1CYP3A4
SCHEMBL11121798 0.90 ACE (0.70) ACEACE2KLK5ALDH1A1CYP3A4
SCHEMBL11122197 0.84 ACE (0.84) ACEACE2
SCHEMBL11122199 0.84 ACE (0.84) ACEACE2
SCHEMBL11279585 0.83 ACE (0.81) ACEACE2
SCHEMBL11124339 0.83 ACE (0.81) ACEACE2
SCHEMBL11124347 0.83 ACE (0.81) ACEACE2
SCHEMBL11124578 0.82 ACE (0.66) ACEACE2KLK5
SCHEMBL11124576 0.82 ACE (0.66) ACEACE2KLK5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4329473-A HYPOTENSIVE AGENTS SRI INTERNATIONAL 1982-05-11 — — US claimed
US-4329473-A HYPOTENSIVE AGENTS SRI INTERNATIONAL 1982-05-11 — — US disclosed
Send feedback