SCHEMBL8936979

SCHEMBL8936979

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.49
CASP1 P29466 2/20 0.49
CTSD P07339 2/20 0.49
ACE P12821 5/20 0.48
MME P08473 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
BACE1 P56817 3/20 0.47
BACE2 Q9Y5Z0 3/20 0.47
OPRM1 P35372 1/20 0.46
ANPEP P15144 1/20 0.44
LNPEP Q9UIQ6 1/20 0.44
REN P00797 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43

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
SCHEMBL30832636 0.93 ACE (0.53) OPRD1CASP1CTSDACEMME
SCHEMBL29352065 0.90 ACE (0.58) OPRD1CTSDACEMMECPA1
SCHEMBL30565308 0.89 ACE (0.57) OPRD1CTSDACEMMECPA1
SCHEMBL30746956 0.86 ACE (0.64) ACEMMECPA1ACE2ANPEP
SCHEMBL31089980 0.84 ACE (0.67) ACEMMECPA1ACE2
SCHEMBL30900763 0.84 ACE (0.60) OPRD1ACEMMECPA1ACE2
SCHEMBL30405655 0.84 ACE (0.50) OPRD1CASP1ACEMMECPA1
SCHEMBL30974102 0.84 BACE1 (0.54) OPRD1CASP1BACE1BACE2OPRM1
SCHEMBL31721019 0.83 ACE (0.50) OPRD1CTSDACEMMECPA1
SCHEMBL29608723 0.83 CTSD (0.51) OPRD1CTSDACEMMECPA1

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
EP-0673384-A4 POLYPEPTIDES USEFUL FOR TREATING INFLAMMATORY DISORDERS. UNIV MINNESOTA (US) 1996-10-09 EP claimed
EP-0673384-A1 POLYPEPTIDES USEFUL FOR TREATING INFLAMMATORY DISORDERS THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1995-09-27 EP claimed
WO-1994013692-A1 POLYPEPTIDES USEFUL FOR TREATING INFLAMMATORY DISORDERS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1994-06-23 WO claimed