SCHEMBL3268059

SCHEMBL3268059

CC(C)(C)OC(=O)CN[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.54
ITGA4 P13612 2/20 0.51
ITGB7 P26010 2/20 0.51
CTSS P25774 2/20 0.50
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSK P43235 1/20 0.50
APP P05067 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
PPARA Q07869 2/20 0.46
PPARG P37231 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ATM Q13315 1/20 0.46
MME P08473 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
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
SCHEMBL3026223 1.00 ACE (0.54) ACEITGA4ITGB7CTSSMAPT
SCHEMBL2476918 1.00 ACE (0.54) ACEITGA4ITGB7CTSSMAPT
SCHEMBL6428127 0.90 ITGA4 (0.62) ACEITGA4ITGB7CTSSMAPT
SCHEMBL4022466 0.89 ITGA4 (0.58) ITGA4ITGB7CTSSMAPTTDP1
SCHEMBL19511106 0.89 CTSS (0.52) ACEITGA4ITGB7CTSSCTSK
SCHEMBL4022463 0.89 ITGA4 (0.58) ITGA4ITGB7CTSSMAPTTDP1
SCHEMBL6440329 0.89 ITGA4 (0.58) ITGA4ITGB7CTSSMAPTTDP1
SCHEMBL25433605 0.88 PPARG (0.48) ACEITGA4ITGB7CTSSMAPT
SCHEMBL5803681 0.88 PPARG (0.48) ACEITGA4ITGB7CTSSMAPT
SCHEMBL25433606 0.88 PPARG (0.48) ACEITGA4ITGB7CTSSMAPT

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506969-B1 Compounds with growth hormone releasing properties HELSINN THERAPEUTICS US INC (US) 2010-06-09 EP disclosed
US-7208628-B2 Compositions and methods for the treatment of hepatitis C virus infection KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-04-24 US disclosed
US-7132418-B2 Peptidyl heterocyclic ketones useful as tryptase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-11-07 US disclosed
EP-1675859-A1 MODULATORS OF SEROTONIN RECEPTORS Bristol-Myers Squibb Company (US) 2006-07-05 EP disclosed
US-6939880-B2 Compounds with growth hormone releasing properties NOVO NORDISK A/S (DK) 2005-09-06 US disclosed
WO-2005035533-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 WO disclosed
EP-1506969-A1 Compounds with growth hormone releasing properties NOVO NORDISK A/S (DK) 2005-02-16 EP disclosed
EP-1047709-B1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK AS (DK) 2004-11-03 EP disclosed
EP-0805816-B1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK AS (DK) 2004-07-28 EP disclosed
US-6555570-B2 Growth hormone secretagogous with improved bioavailability NOVO NORDISK A/S (DE) 2003-04-29 US disclosed
WO-1999036431-A9 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK AS (DK) 2000-07-27 WO disclosed
US-6083908-A TREATING MEDICAL DISORDERS RESULTING FROM DEFICIENCY IN GROWTH HORMONE NOVO NORDISK A/S (DK) 2000-07-04 US disclosed
US-6013658-A ANIMAL GROWTH REGULATORS NOVO NORDISK A/S (DK) 2000-01-11 US disclosed
US-5977178-A Compounds with growth hormone releasing properties NOVO NORDISK A/S (DK) 1999-11-02 US disclosed
WO-1999036431-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1999-07-22 WO disclosed
EP-0869974-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-10-14 EP disclosed
EP-0858464-A1 THROMBIN INHIBITORS Akzo Nobel N.V. (NL) 1998-08-19 EP disclosed
EP-0805816-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-11-12 EP disclosed
WO-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 WO disclosed
WO-1997017363-A1 THROMBIN INHIBITORS AKZO NOBEL N.V. (NL) 1997-05-15 WO disclosed