SCHEMBL27636331

SCHEMBL27636331

N[C@@H](CCCCNC(=O)CCCN1C(=O)C=CC1=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
OTC P00480 1/20 0.44
NOD1 Q9Y239 2/20 0.44
PTGS1 P23219 4/20 0.42
PTGS2 P35354 4/20 0.42
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
FAAH O00519 2/20 0.38
MGLL Q99685 2/20 0.38
GSR P00390 1/20 0.37
HSP90AA1 P07900 1/20 0.37
TLR9 Q9NR96 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
XBP1 P17861 1/20 0.37

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
SCHEMBL30202393 0.95 PTGS1 (0.50) TDP1OTCNOD1PTGS1PTGS2
SCHEMBL31722070 0.95 PTGS1 (0.50) TDP1OTCNOD1PTGS1PTGS2
SCHEMBL12835617 0.94 TDP1 (0.45) TDP1OTCNOD1PTGS1PTGS2
SCHEMBL12762382 0.94 TDP1 (0.45) TDP1OTCNOD1PTGS1PTGS2
SCHEMBL24202317 0.84 GLP1R (0.45) TDP1OTCNOD1PTGS1PTGS2
SCHEMBL22069851 0.84 LTA4H (0.43) OTCNOD1PTGS1PTGS2KMT2A
SCHEMBL22069850 0.84 LTA4H (0.43) OTCNOD1PTGS1PTGS2KMT2A
SCHEMBL22389098 0.84 ALB (0.47) NOD1PTGS1PTGS2ALBFOLH1
SCHEMBL22687997 0.83 MGLL (0.55) PTGS1PTGS2NPSR1FAAHMGLL
SCHEMBL14679245 0.83 MGLL (0.55) PTGS1PTGS2NPSR1FAAHMGLL

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
CN-1711108-A Method for the selective and quantitative functionalization of immunoglobulin Fab fragments, conjugate compounds obtained with the same and compositions thereof BRACCO IMAGING SPA (IT) 2005-12-21 CN claimed