SCHEMBL8891583

SCHEMBL8891583

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.55
F2 P00734 1/20 0.55
PRSS1 P07477 1/20 0.55
OPRM1 P35372 1/20 0.52
CMA1 P23946 6/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
CTRC Q99895 1/20 0.48

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
SCHEMBL6412059 0.91 ACE (0.66) ACEF2PRSS1CMA1CTRC
SCHEMBL7087290 0.91 ACE (0.66) ACEF2PRSS1CMA1CTRC
SCHEMBL6412055 0.91 ACE (0.66) ACEF2PRSS1CMA1CTRC
SCHEMBL16667799 0.90 KLK5 (0.58) ACEF2PRSS1CMA1CTSS
SCHEMBL864626 0.85 XIAP (0.46) ACEF2PRSS1OPRM1CMA1
SCHEMBL864625 0.85 XIAP (0.46) ACEF2PRSS1OPRM1CMA1
SCHEMBL864624 0.85 XIAP (0.46) ACEF2PRSS1OPRM1CMA1
SCHEMBL10604343 0.85 ACE (0.52) ACEF2PRSS1CMA1CTSS
SCHEMBL10604335 0.85 ACE (0.52) ACEF2PRSS1CMA1CTSS
SCHEMBL18257107 0.83 ACE (0.57) ACEF2PRSS1CMA1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5599791-A BACTERICIDE ACTIVE AGAINST GRAMNEGATIVE AND GRAMPOSITIVE BACTERIA GRUPPO LEPETIT SPA (IT) 1997-02-04 US disclosed
EP-0565567-B1 AMIDES OF ANTIBIOTIC GE 2270 FACTORS LEPETIT SPA (IT) 1995-01-18 EP disclosed
EP-0494078-A1 Amides of antibiotic ge 2270 factors GRUPPO LEPETIT S.p.A. (IT) 1992-07-08 EP disclosed