Tetraxetan

Tetraxetan

SCHEMBL1894580

O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1.O=C1CCC(=O)N1

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.46
HSD17B10 Q99714 1/20 0.45
SLC6A9 P48067 1/20 0.40
TSHR P16473 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
KMT2A Q03164 1/20 0.36
S1PR1 P21453 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
TGM2 P21980 1/20 0.34
DDB1 Q16531 1/20 0.33
ACE P12821 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
SCHEMBL6744121 0.79 HSD17B10 (0.64) HSD17B10SLC6A9TSHRS1PR1
Tetraxetan SCHEMBL2017956 0.79 HSD17B10 (0.64) HSD17B10SLC6A9TSHRS1PR1
SCHEMBL3660521 0.79
SCHEMBL173508 0.79 HSD17B10 (0.64) HSD17B10SLC6A9TSHRS1PR1
Tetraxetan SCHEMBL18018 0.79 HSD17B10 (0.64) HSD17B10SLC6A9TSHRS1PR1
Tetraxetan SCHEMBL2635294 0.79 HSD17B10 (0.64) HSD17B10SLC6A9TSHRS1PR1
SCHEMBL6848102 0.79 HSD17B10 (0.64) HSD17B10SLC6A9TSHRS1PR1
SCHEMBL3503521 0.79 HSD17B10 (0.64) HSD17B10SLC6A9TSHRS1PR1
SCHEMBL321989 0.79 HSD17B10 (0.64) HSD17B10SLC6A9TSHRS1PR1
SCHEMBL5945932 0.78 PTGS1 (0.42) CRBNHSD17B10TSHRKMT2AITGB3

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
US-8784777-B2 Flexibly labeling peptides CASE WESTERN RESERVE UNIVERSITY (US) 2014-07-22 US disclosed
US-20110104063-A1 FLEXIBLY LABELING PEPTIDES US ARMY, SECRETARY OF THE ARMY 2011-05-05 US disclosed
US-7842280-B2 solid phase peptide synthesis for a peptidyl contrast agent; synthesizing an amino-chelator loaded resin coupling the loaded resin to C-terminus and/or backbone of a peptide, cleaving the amino-chelator-peptide from a resin, and chelating a lanthanide metal; DOTA or DTPA chelate coupled to peptide CASE WESTERN RESERVE UNIVERSITY (US) 2010-11-30 US disclosed
US-20080089842-A1 solid phase peptide synthesis for a peptidyl contrast agent; synthesizing an amino-chelator loaded resin coupling the loaded resin to C-terminus and/or backbone of a peptide, cleaving the amino-chelator-peptide from a resin, and chelating a lanthanide metal; DOTA or DTPA chelate coupled to peptide CASE WESTERN RESERVE UNIVERSITY 2008-04-17 US disclosed
US-6852854-B1 Preformed carboxylated active ester for labeling biomolecules PSILOQUEST INC. (US) 2005-02-08 US disclosed