SCHEMBL30489502

SCHEMBL30489502

[N-]=[N+]=NCCCCNCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.36
IDUA P35475 1/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MAN2B1 O00754 1/20 0.32
PRMT1 Q99873 1/20 0.31
TLR2 O60603 1/20 0.30
TLR1 Q15399 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
SCHEMBL16446380 0.94 LTA4H (0.33) LTA4HIDUAMAOAMAOB
SCHEMBL16446125 0.86 CTH (0.31)
Succinic Acid SCHEMBL28672897 0.79 LMNA (0.45) IDUA
SCHEMBL18045572 0.78 MAOA (0.46) LTA4HMAOAMAOBPRMT1
SCHEMBL13630655 0.77 LMNA (0.52) TLR2
SCHEMBL14944447 0.77 MAOA (0.50) MAOAMAOB
SCHEMBL18045569 0.76 MAOA (0.50) LTA4HMAOAMAOBPRMT1
SCHEMBL18045567 0.76 MAOA (0.50) LTA4HMAOAMAOBPRMT1
SCHEMBL15194559 0.76 IDUA (0.36) IDUAMAN2B1PRMT1TLR2TLR1
SCHEMBL25408049 0.75 TSHR (0.55) TLR2

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-116490212-A GLP-1 prodrugs and uses thereof 诺和诺德股份有限公司 2023-07-25 CN disclosed