SCHEMBL12296559

SCHEMBL12296559

NCCCC[C@@H](CC(=O)O)N(CC(=O)O)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.42
RNPEP Q9H4A4 1/20 0.41
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
CPB2 Q96IY4 7/20 0.38
LMNA P02545 3/20 0.38
BLM P54132 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
THRB P10828 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PLG P00747 1/20 0.38
ALOX15 P16050 1/20 0.38
SLC6A2 P23975 1/20 0.38
RECQL P46063 1/20 0.38
SLC6A3 Q01959 1/20 0.38
FOLH1 Q04609 1/20 0.37
GABRR1 P24046 3/20 0.35
GABRR3 A8MPY1 1/20 0.35

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
SCHEMBL12244711 0.83 GSR (0.33) GSRRNPEPCYP2D6NFKB1CPB2
SCHEMBL6152987 0.78 TDP1 (0.44) GSRRNPEPCYP2D6NFKB1CPB2
SCHEMBL19737240 0.78 CPB2 (0.36) GSRRNPEPCYP2D6NFKB1CPB2
SCHEMBL6958710 0.77 SLC22A6 (0.41) LMNABLMALOX15SLC6A2SLC6A3
SCHEMBL7186341 0.76 FOLH1 (0.45) GSRCYP2D6NFKB1BLMSLC6A2
SCHEMBL24075891 0.76 GSR (0.48) GSRRNPEPCYP2D6NFKB1CPB2
SCHEMBL158632 0.76 GSR (0.48) GSRRNPEPCYP2D6NFKB1CPB2
SCHEMBL14890176 0.76 GSR (0.48) GSRRNPEPCYP2D6NFKB1CPB2
SCHEMBL382017 0.76 GSR (0.48) GSRRNPEPCYP2D6NFKB1CPB2
SCHEMBL16731736 0.76 GSR (0.44) GSRRNPEPCYP2D6NFKB1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9061903-B2 Sulfonate modified nanocrystals Life Technologies Corporation (US) 2015-06-23 US disclosed
US-20110220844-A1 SULFONATE MODIFIED NANOCRYSTALS Life Technologies Corporation 2011-09-15 US disclosed
WO-2010040111-A2 SULFONATE MODIFIED NANOCRYSTALS Life Technologies Corporation (US) 2010-04-08 WO disclosed