SCHEMBL15401429

SCHEMBL15401429

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.51
SIRT5 Q9NXA8 2/20 0.36
ERAP2 Q6P179 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
LNPEP Q9UIQ6 1/20 0.33
PTPN1 P18031 1/20 0.31
NOD2 Q9HC29 1/20 0.31
GHSR Q92847 1/20 0.31
NPY4R P50391 1/20 0.31
DPP8 Q6V1X1 2/20 0.30
GNPAT O15228 2/20 0.30
CTSL P07711 1/20 0.30
DPP4 P27487 1/20 0.30
DPP9 Q86TI2 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
BMP1 P13497 2/20 0.30
ALDH1A1 P00352 1/20 0.30
PLA2G10 O15496 1/20 0.30
MMP2 P08253 1/20 0.30
MMP8 P22894 1/20 0.30

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 0.92 NOD1 (0.49) NOD1GNPAT
SCHEMBL1249331 0.92 NOD1 (0.49) NOD1GNPAT
SCHEMBL7918137 0.85 NOD1 (0.39) NOD1SIRT5DPP8GNPATDPP4
SCHEMBL15541251 0.80 BHMT (0.37) NOD1ALDH1A1
SCHEMBL1373235 0.80 ALDH1A1 (0.36) DPP8DPP4DPP9ALDH1A1
SCHEMBL11103615 0.77 NOD1 (0.59) NOD1SIRT5ERAP2ERAP1LNPEP
SCHEMBL4217551 0.77 NOD1 (0.59) NOD1SIRT5ERAP2ERAP1LNPEP
SCHEMBL7927426 0.77 NOD1 (0.59) NOD1SIRT5ERAP2ERAP1LNPEP
SCHEMBL27892995 0.77 NOD1 (0.59) NOD1SIRT5ERAP2ERAP1LNPEP
SCHEMBL2467621 0.76 BHMT (0.48) NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388400-B2 Composition for use in mycobacteria diagnosis LYSANDO AG (LI) 2016-07-12 US claimed
US-20150344859-A1 COMPOSITION FOR USE IN MYCOBACTERIA THERAPY LYSANDO AG (LI) 2015-12-03 US claimed
US-20150165013-A1 COMPOSITION FOR USE IN MYCOBACTERIA VACCINATION LYSANDO AG (LI) 2015-06-18 US claimed
US-20150140572-A1 COMPOSITION FOR USE IN MYCOBACTERIA DIAGNOSIS LYSANDO AG (LI) 2015-05-21 US claimed
EP-2679677-A1 Composition for use in Mycobacteria therapy Lysando Aktiengesellschaft (LI) 2014-01-01 EP claimed
EP-2679232-A1 Composition for use in Mycobacteria vaccination Lysando Aktiengesellschaft (LI) 2014-01-01 EP claimed
US-20170136102-A1 PHAGE-DERIVED COMPOSITIONS FOR IMPROVED MYCOBACTERIAL THERAPY BACTOCLEAR HOLDINGS PTE. LTD. (SG) 2017-05-18 US disclosed
US-9388400-B2 Composition for use in mycobacteria diagnosis LYSANDO AG (LI) 2016-07-12 US disclosed
US-20150344859-A1 COMPOSITION FOR USE IN MYCOBACTERIA THERAPY LYSANDO AG (LI) 2015-12-03 US disclosed
US-20150165013-A1 COMPOSITION FOR USE IN MYCOBACTERIA VACCINATION LYSANDO AG (LI) 2015-06-18 US disclosed
US-20150165013-A1 COMPOSITION FOR USE IN MYCOBACTERIA VACCINATION LYSANDO AG (LI) 2015-06-18 US disclosed
US-20150140572-A1 COMPOSITION FOR USE IN MYCOBACTERIA DIAGNOSIS LYSANDO AG (LI) 2015-05-21 US disclosed
WO-2014001570-A1 COMPOSITION FOR USE IN MYCOBACTERIA VACCINATION LYSANDO AG (LI) 2014-01-03 WO disclosed
WO-2014001570-A1 COMPOSITION FOR USE IN MYCOBACTERIA VACCINATION LYSANDO AG (LI) 2014-01-03 WO disclosed
WO-2014001571-A1 COMPOSITION FOR USE IN MYCOBACTERIA DIAGNOSIS LYSANDO AG (LI) 2014-01-03 WO disclosed
WO-2014001572-A1 COMPOSITION FOR USE IN MYCOBACTERIA THERAPY LYSANDO AG (LI) 2014-01-03 WO disclosed
EP-2679232-A1 Composition for use in Mycobacteria vaccination Lysando Aktiengesellschaft (LI) 2014-01-01 EP disclosed
EP-2679677-A1 Composition for use in Mycobacteria therapy Lysando Aktiengesellschaft (LI) 2014-01-01 EP disclosed