SCHEMBL1249331

SCHEMBL1249331

C[C@H](N)C(=O)N[C@H](CCC(=O)NC(N)(CCCCC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 6/20 0.49
GNPAT O15228 2/20 0.39
FOLH1 Q04609 7/20 0.36
NAALAD2 Q9Y3Q0 2/20 0.36
RIMKLA Q8IXN7 1/20 0.36

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
SCHEMBL660692 1.00 NOD1 (0.49) NOD1GNPATFOLH1NAALAD2RIMKLA
SCHEMBL15401429 0.92 NOD1 (0.51) NOD1GNPAT
SCHEMBL7918137 0.84 NOD1 (0.39) NOD1GNPAT
SCHEMBL1373235 0.81 ALDH1A1 (0.36) NAALAD2
SCHEMBL2467621 0.80 BHMT (0.48) NOD1FOLH1
SCHEMBL28727840 0.77 FOLH1 (0.56) NOD1GNPATFOLH1NAALAD2RIMKLA
SCHEMBL29517639 0.77 FOLH1 (0.56) NOD1GNPATFOLH1NAALAD2RIMKLA
SCHEMBL28727831 0.77 FOLH1 (0.56) NOD1GNPATFOLH1NAALAD2RIMKLA
SCHEMBL23044064 0.76 FOLH1 (0.60) NOD1FOLH1NAALAD2RIMKLA
SCHEMBL2490631 0.76 FOLH1 (0.60) NOD1FOLH1NAALAD2RIMKLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390053-A2 HCG FORMULATION Acevedo, Hernan F. (US) 2004-02-25 EP claimed
WO-2002085311-A2 HCG FORMULATION ACEVEDO HERNAN F (US) 2002-10-31 WO claimed
EP-2150586-B1 DYES HAVING RATIOMETRIC FLUORESCENCE RESPONSE FOR DETECTING METABOLITES BECTON DICKINSON CO (US) 2018-03-14 EP disclosed
WO-2017097828-A1 BACTERIAL CELLS WITH IMPROVED TOLERANCE TO POLYAMINES DANMARKS TEKNISKE UNIVERSITET (DK) 2017-06-15 WO disclosed
EP-2284195-A9 Fusion proteins useful for detecting analytes Carnegie Institution Of Washington (US) 2013-03-27 EP disclosed
EP-2370089-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASE The Provost, Fellows and Scholars of the College of the Holy and Undivided Trinity of Queen Elizabeth near Dublin (IE) 2011-10-05 EP disclosed
EP-1427856-B1 FUSION PROTEINS USEFUL FOR DETECTING ANALYTES CARNEGIE INST OF WASHINGTON (US) 2011-05-11 EP disclosed
EP-2284195-A1 Fusion proteins useful for detecting analytes Carnegie Institution Of Washington (US) 2011-02-16 EP disclosed
EP-1754059-B1 MULTIANALYTE SENSOR BECTON DICKINSON CO (US) 2010-08-04 EP disclosed
WO-2010072797-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASE The Provost, Fellows and Scholars of The Holy and Undivided Trinity of Queen Elizabeth, Near Dublin (IE) 2010-07-01 WO disclosed
EP-1390053-A2 HCG FORMULATION Acevedo, Hernan F. (US) 2004-02-25 EP disclosed
WO-2002085311-A2 HCG FORMULATION ACEVEDO HERNAN F (US) 2002-10-31 WO disclosed