SCHEMBL7296608

SCHEMBL7296608

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

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.58
ITGB3 P05106 2/20 0.57
ITGA2B P08514 2/20 0.57
ITGB1 P05556 1/20 0.56
ITGAV P06756 1/20 0.56
ITGB5 P18084 1/20 0.56
PPARA Q07869 9/20 0.54
PPARG P37231 8/20 0.54
PPARD Q03181 2/20 0.54
CTSS P25774 6/20 0.52
CTSK P43235 5/20 0.52
PTPN1 P18031 1/20 0.52
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
ITGA4 P13612 1/20 0.50
ITGB7 P26010 1/20 0.50

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
SCHEMBL27341117 1.00 ACE (0.58) ACEITGB3ITGA2BITGB1ITGAV
SCHEMBL21683121 0.90 ACE (0.60) ACEITGB3ITGA2BITGB1ITGAV
SCHEMBL6247819 0.90 ACE (0.60) ACEITGB3ITGA2BITGB1ITGAV
SCHEMBL14250272 0.90 ACE (0.60) ACEITGB3ITGA2BITGB1ITGAV
SCHEMBL7394803 0.88 ACE (0.58) ACEITGB3ITGA2BITGB1ITGAV
SCHEMBL7394806 0.88 ACE (0.58) ACEITGB3ITGA2BITGB1ITGAV
SCHEMBL7388523 0.87 ACE (0.62) ACEITGB3ITGA2BITGB1ITGAV
SCHEMBL7388520 0.87 ACE (0.62) ACEITGB3ITGA2BITGB1ITGAV
Iodide SCHEMBL7301004 0.86 ACE (0.57) ACEITGB3ITGA2BITGB1ITGAV
Hydrochloric Acid SCHEMBL5671540 0.86 ACE (0.57) ACEITGB3ITGA2BITGB1ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1043647-C Novel peptide compounds FUJISAWA PHARMACEUTICAL CO (JP) 1999-06-16 CN disclosed
US-5574016-A Peptide compound and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-12 US disclosed
EP-0513675-B1 New peptide compound and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1996-09-11 EP disclosed
CN-1120047-A New peptide compound and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1996-04-10 CN disclosed
CN-1066660-A Peptide compounds and process for preparing same FUJISAWA PHARMACEUTICAL CO (JP) 1992-12-02 CN disclosed
EP-0513675-A1 New peptide compound and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed