SCHEMBL21291889

SCHEMBL21291889

CCCCCCCC(=O)N[C@H](CS)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 7/20 0.69
FAAH O00519 7/20 0.58
MEN1 O00255 1/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 1/20 0.58
SLC6A5 Q9Y345 1/20 0.55
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
PTGS2 P35354 1/20 0.52
THPO P40225 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
DNM1 Q05193 1/20 0.51
PLA2G2C Q5R387 1/20 0.51
EPHX2 P34913 2/20 0.51

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
SCHEMBL2349849 1.00 NOD1 (0.69) NOD1FAAHMEN1MAPK1KMT2A
SCHEMBL16190307 1.00 NOD1 (0.69) NOD1FAAHMEN1MAPK1KMT2A
SCHEMBL16190310 1.00 NOD1 (0.69) NOD1FAAHMEN1MAPK1KMT2A
SCHEMBL1672712 1.00 NOD1 (0.69) NOD1FAAHMEN1MAPK1KMT2A
SCHEMBL2355126 1.00 NOD1 (0.69) NOD1FAAHMEN1MAPK1KMT2A
SCHEMBL2355124 1.00 NOD1 (0.69) NOD1FAAHMEN1MAPK1KMT2A
SCHEMBL25187792 1.00 NOD1 (0.69) NOD1FAAHMEN1MAPK1KMT2A
SCHEMBL2349133 1.00 NOD1 (0.69) NOD1FAAHMEN1MAPK1KMT2A
SCHEMBL2353176 1.00 NOD1 (0.69) NOD1FAAHMEN1MAPK1KMT2A
SCHEMBL2349127 1.00 NOD1 (0.69) NOD1FAAHMEN1MAPK1KMT2A

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-3528958-A1 METHOD FOR REMOVING HEAVY METALS FROM AN AQUEOUS SOLUTION NewSouth Innovations Pty Limited (AU) 2019-08-28 EP disclosed