SCHEMBL8601950

SCHEMBL8601950

NCC(N)C(=O)OC(=O)CS

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGS1 P23219 1/20 0.34
SLC7A11 Q9UPY5 1/20 0.34

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
SCHEMBL4743441 0.84 PTGS1 (0.46) TSHRHSD17B10PTGS1SLC7A11
SCHEMBL19511523 0.83 PTGS1 (0.44) TSHRHSD17B10PTGS1SLC7A11
SCHEMBL1696975 0.79 GSR (0.50)
SCHEMBL5149928 0.74 PTGS1 (0.44) PTGS1SLC7A11
SCHEMBL361160 0.74 PTGS1 (0.44) PTGS1SLC7A11
SCHEMBL9763734 0.71 PTGS1 (0.46) TSHRHSD17B10PTGS1SLC7A11
SCHEMBL2873837 0.71 PTGS1 (0.46) PTGS1SLC7A11
SCHEMBL7927272 0.71 PTGS1 (0.46) PTGS1SLC7A11
SCHEMBL16528819 0.71 ALDH1A1 (0.33)
SCHEMBL20897398 0.71 GRIK1 (0.31) PTGS1SLC7A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820313-A2 RADIOLABELED PEPTIDES FOR DIAGNOSIS AND THERAPY Diatide, Inc. (US) 1998-01-28 EP disclosed
EP-0804252-A2 MONOAMINE, DIAMIDE, THIOL-CONTAINING METAL CHELATING AGENTS DIATECH, INC. (US) 1997-11-05 EP disclosed
WO-1996030055-A2 RADIOLABELED PEPTIDES FOR DIAGNOSIS AND THERAPY DIATIDE, INC. (US) 1996-10-03 WO 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