SCHEMBL7367672

SCHEMBL7367672

CC(C)(C)OC(=O)N[C@@H](Cc1cc(I)cc(I)c1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.59
ITGB3 P05106 2/20 0.53
ITGA2B P08514 2/20 0.53
CTSS P25774 9/20 0.49
CTSK P43235 8/20 0.49
CTSB P07858 3/20 0.49
CTSL P07711 1/20 0.49
PTPN1 P18031 1/20 0.48
PPARA Q07869 5/20 0.48
PPARG P37231 4/20 0.48
ITGB1 P05556 1/20 0.47
ITGAV P06756 1/20 0.47
ITGB5 P18084 1/20 0.47
PPARD Q03181 2/20 0.46
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46

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
SCHEMBL25186509 0.91 ACE (0.54) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL17580107 0.91 ACE (0.54) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL25657603 0.91 ACE (0.54) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL7014593 0.88 ACE (0.58) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL21243772 0.88 ACE (0.58) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL5160323 0.88 ACE (0.58) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL7270069 0.88 ACE (0.58) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL14940466 0.87 ACE (0.64) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL1854581 0.87 ACE (0.64) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL1858025 0.87 ACE (0.64) ACEITGB3ITGA2BCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998025949-A1 SUBSTITUTED 5-AMINO-1,3,4-THIADIAZOLE-2-THIONES PROSCRIPT, INC. (US) 1998-06-18 WO disclosed
EP-0845002-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1998-06-03 EP disclosed
US-5677282-A ENZYME INHIBITOR; OSTEOARTHRITIS AND RHEUMATIC DISORDERS PROSCRIPT, INC. (US) 1997-10-14 US disclosed
WO-1996040745-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1996-12-19 WO disclosed