SCHEMBL11213041

SCHEMBL11213041

NC(CCNC(C(=O)O)C(=O)O)CCNC(C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 5/20 0.37
ANPEP P15144 3/20 0.35
GSR P00390 2/20 0.34
GRM8 O00222 1/20 0.34
GRM6 O15303 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
CYP1A2 P05177 1/20 0.34
GRIK1 P39086 1/20 0.34
GRM5 P41594 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
GRIA4 P48058 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIK2 Q13002 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
SCHEMBL525469 0.75 GGT1 (0.48) GSRGGT1KMT2A
SCHEMBL2839212 0.74 GSR (0.55) GSRGRM8GRM6GRIN2DGRIN3B
SCHEMBL1495114 0.74 GSR (0.55) GSRGRM8GRM6GRIN2DGRIN3B
SCHEMBL6342528 0.74 LDHA (0.30) GGT1
SCHEMBL29797573 0.73 GGT1 (0.47) GSRGGT1KMT2A
SCHEMBL29797936 0.73 GGT1 (0.47) GSRGGT1KMT2A
SCHEMBL7348111 0.70 HDAC1 (0.40) ALOX15
SCHEMBL20969063 0.70 LMNA (0.40) GSRGRM8GRM6GRIN2DGRIN3B
SCHEMBL29223220 0.68 CA12 (0.48) ANPEPGSRCYP1A2GGT1ALOX15
SCHEMBL10545490 0.68 PAOX (0.47) GSRCYP1A2ALOX15BLMKMT2A

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
EP-0071564-A1 Paramagnetic complex salts, their preparation and their use in NMR diagnostics SCHERING AKTIENGESELLSCHAFT (DE) 1983-02-09 EP disclosed