SCHEMBL8798176

SCHEMBL8798176

NC(C(=O)O)C(N)C(=O)CS

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
SLC7A11 Q9UPY5 1/20 0.46
SLC7A5 Q01650 1/20 0.42
ENPEP Q07075 7/20 0.41
USP2 O75604 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
SLC1A3 P43003 4/20 0.36
SLC1A2 P43004 4/20 0.36
SLC1A1 P43005 4/20 0.36
ANPEP P15144 3/20 0.34
GSR P00390 1/20 0.34
CPB2 Q96IY4 1/20 0.34
RNPEP Q9H4A4 1/20 0.33

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
SCHEMBL1007447 0.76 SLC7A5 (0.62) PTGS1SLC7A11SLC7A5USP2SLCO1B1
SCHEMBL468084 0.76 SLC7A5 (0.62) PTGS1SLC7A11SLC7A5USP2SLCO1B1
SCHEMBL29957453 0.76 SLC7A5 (0.62) PTGS1SLC7A11SLC7A5USP2SLCO1B1
SCHEMBL600021 0.76 SLC7A5 (0.62) PTGS1SLC7A11SLC7A5USP2SLCO1B1
SCHEMBL25933046 0.76 SLC7A5 (0.62) PTGS1SLC7A11SLC7A5USP2SLCO1B1
SCHEMBL7208264 0.76
SCHEMBL8731583 0.76
SCHEMBL23897741 0.74
SCHEMBL16892806 0.74 SLC7A5 (0.42) PTGS1SLC7A11SLC7A5USP2SLCO1B1
Hydrochloric Acid SCHEMBL11095114 0.73 SLC7A5 (0.59) PTGS1SLC7A11SLC7A5USP2SLCO1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804252-A2 MONOAMINE, DIAMIDE, THIOL-CONTAINING METAL CHELATING AGENTS DIATECH, INC. (US) 1997-11-05 EP disclosed
WO-1995033497-A1 MONOAMINE, DIAMIDE, THIOL-CONTAINING METAL CHELATING AGENTS DIATECH, INC. (US) 1995-12-14 WO disclosed
US-5322929-A Tri- and tetrapeptides as ligands UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 1994-06-21 US disclosed
US-4980147-A INJECTING AS IMAGING AGENTS IN SCINTIGRAPHIC UROGRAPHY UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 1990-12-25 US disclosed
EP-0173424-A1 Radiolabeled technetium chelates for use in renal function determinations UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 1986-03-05 EP disclosed