SCHEMBL7918137

SCHEMBL7918137

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 1/20 0.39
BMP1 P13497 3/20 0.37
DPP8 Q6V1X1 3/20 0.33
DPP4 P27487 2/20 0.33
DPP9 Q86TI2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SIRT5 Q9NXA8 1/20 0.32
ENPEP Q07075 3/20 0.32
DPP7 Q9UHL4 1/20 0.31
ADAMTS4 O75173 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
GNPAT O15228 1/20 0.30
ELANE P08246 1/20 0.30
TASP1 Q9H6P5 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
SCHEMBL15401429 0.85 NOD1 (0.51) NOD1BMP1DPP8DPP4DPP9
SCHEMBL1249331 0.84 NOD1 (0.49) NOD1GNPAT
SCHEMBL660692 0.84 NOD1 (0.49) NOD1GNPAT
SCHEMBL1373235 0.84 ALDH1A1 (0.36) DPP8DPP4DPP9ALDH1A1ENPEP
SCHEMBL15542060 0.81 BLM (0.41) DPP8DPP4DPP9ALDH1A1ENPEP
SCHEMBL30291910 0.77 NOD1 (0.42) NOD1BMP1DPP8DPP4DPP9
SCHEMBL29772065 0.77 NOD1 (0.53) NOD1BMP1DPP8DPP4DPP9
SCHEMBL31627965 0.77 NOD1 (0.53) NOD1BMP1DPP8DPP4DPP9
SCHEMBL30193304 0.77 NOD1 (0.53) NOD1BMP1DPP8DPP4DPP9
SCHEMBL2503883 0.75 NOD1 (0.57) NOD1BMP1DPP8DPP4DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6221364-B1 Recombinant mycobacteria auxotrophic for diaminopimelate ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY 2001-04-24 US disclosed