SCHEMBL7411063

SCHEMBL7411063

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.56
ACE2 Q9BYF1 5/20 0.56
REN P00797 1/20 0.52
LTA4H P09960 2/20 0.51
OPRK1 P41145 3/20 0.50
NMUR2 Q9GZQ4 1/20 0.48
TSHR P16473 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
SCHEMBL8060131 1.00 ACE (0.56) ACEACE2RENLTA4HOPRK1
SCHEMBL2045662 0.93 REN (0.54) ACEACE2RENNMUR2
SCHEMBL7419554 0.93 REN (0.54) ACEACE2RENNMUR2
SCHEMBL5208748 0.91 CTSD (0.49) ACEACE2LTA4H
SCHEMBL15251857 0.87 MEN1 (0.57) ACEACE2LTA4H
SCHEMBL15251858 0.87 MEN1 (0.57) ACEACE2LTA4H
SCHEMBL27499487 0.87 REN (0.49) ACEACE2RENNMUR2
SCHEMBL30788009 0.86 NMUR2 (0.53) ACEACE2OPRK1NMUR2
SCHEMBL30886747 0.84 OPRK1 (0.57) ACEACE2OPRK1
SCHEMBL8334047 0.84 CALCRL (0.49) RENNMUR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5688913-A OLIGOPEPTIDES AS ANTIINFLAMMATORY AGENTS CYTEL CORPORATION (US) 1997-11-18 US claimed
US-6117840-A INHIBITS BINDING BETWEEN VLA-4 RECEPTOR EXPRESSED ON INFLAMMATORY LEUKOCYTES AND FIBRONECTIN CS-1 PEPTIDE EXPRESSED ON ENDOTHELIAL CELLS THAT ARE INVOLVED IN IMMUNOINFLAMMATORY DISEASE STATES CYTEL CORPORATION (US) 2000-09-12 US disclosed
US-6103870-A INHIBITS BINDING BETWEEN VLA-4 RECEPTOR EXPRESSED ON INFLAMMATORY LEUKOCYTES AND FIBRONECTIN CS-1 PEPTIDE EXPRESSED ON ENDOTHELIAL CELLS; ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; TREATMENT OF ASTHMA CYTEL CORPORATION (US) 2000-08-15 US disclosed
WO-2000002903-A1 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 2000-01-20 WO disclosed
US-5936065-A PRODRUG AS ANTIINFLAMMATORY AGENT FOR AUTOIMMUNE DISEASES; FOR SUPPRESSING BINDING OF INFLAMMATORY CELLS TO ENDOTHELIAL CELLS THAT EXPRESS THE CS-1 PORTION OF FIBRONECTIN ON THEIR SURFACES CYTEL CORPORATION (US) 1999-08-10 US disclosed
EP-0737204-A4 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORP (US) 1999-06-23 EP disclosed
US-5821231-A TREATMENT OF IMMUNOINFLAMMATORY CONDITIONS CYTEL CORPORATION (US) 1998-10-13 US disclosed
US-5770573-A CS-1 peptidomimetics, compositions and methods of using the same CYTEL CORPORATION (US) 1998-06-23 US disclosed
US-5688913-A OLIGOPEPTIDES AS ANTIINFLAMMATORY AGENTS CYTEL CORPORATION (US) 1997-11-18 US disclosed
CN-1142832-A CS-1 mimetics, compositions and methods utilizing the same CYTEL CORP (US) 1997-02-12 CN disclosed
EP-0737204-A1 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 1996-10-16 EP disclosed
WO-1995015973-A1 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 1995-06-15 WO disclosed