SCHEMBL11313573

SCHEMBL11313573

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

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KLK5 Q9Y337 1/20 0.61
▸ ACE P12821 9/20 0.60
▸ CMA1 P23946 9/20 0.56
▸ LMNA P02545 1/20 0.49
▸ ACE2 Q9BYF1 4/20 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
SCHEMBL11313575 1.00 KLK5 (0.61) KLK5ACECMA1LMNAACE2
SCHEMBL11314535 0.89 PREP (0.58) KLK5ACELMNAACE2
SCHEMBL11314532 0.89 PREP (0.58) KLK5ACELMNAACE2
SCHEMBL7354560 0.84 KLK5 (0.59) KLK5ACECMA1
SCHEMBL7354569 0.84 KLK5 (0.59) KLK5ACECMA1
SCHEMBL3692081 0.83 ACE (0.77) KLK5ACECMA1ACE2
SCHEMBL3692085 0.83 ACE (0.77) KLK5ACECMA1ACE2
SCHEMBL22409423 0.83 ACE (0.77) KLK5ACECMA1ACE2
SCHEMBL5900836 0.83 ACE (0.77) KLK5ACECMA1ACE2
SCHEMBL5900839 0.83 ACE (0.77) KLK5ACECMA1ACE2

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-4293481-A AND USEFUL AS HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1981-10-06 — — US disclosed
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