SCHEMBL28635372

SCHEMBL28635372

NCC(=O)NC(CCCCN1C(=O)C=CC1=O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.45
PTGS2 P35354 7/20 0.45
MGLL Q99685 5/20 0.44
FAAH O00519 4/20 0.44
SLC15A2 Q16348 1/20 0.44
HSP90AA1 P07900 1/20 0.43
TLR9 Q9NR96 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
XBP1 P17861 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL23983021 1.00 PTGS1 (0.45) PTGS1PTGS2MGLLFAAHSLC15A2
Trifluoroacetic Acid SCHEMBL23113666 0.93 SLC15A2 (0.40) PTGS1PTGS2MGLLFAAHSLC15A2
Trifluoroacetic Acid SCHEMBL23113668 0.93 SLC15A2 (0.40) PTGS1PTGS2MGLLFAAHSLC15A2
SCHEMBL28624192 0.87 GNPAT (0.52) MGLLFAAHSLC15A2GNPATGSK3A
SCHEMBL28624188 0.87 GNPAT (0.52) MGLLFAAHSLC15A2GNPATGSK3A
SCHEMBL31722260 0.86 SLC6A5 (0.54) PTGS1PTGS2MGLLFAAHSLC15A2
SCHEMBL31722125 0.86 SLC6A5 (0.54) PTGS1PTGS2MGLLFAAHSLC15A2
SCHEMBL21152612 0.86 SLC6A5 (0.54) PTGS1PTGS2MGLLFAAHSLC15A2
SCHEMBL29695436 0.86 SLC6A5 (0.54) PTGS1PTGS2MGLLFAAHSLC15A2
SCHEMBL12914891 0.86 SLC6A5 (0.54) PTGS1PTGS2MGLLFAAHSLC15A2

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
CN-113301920-A Complexes comprising ligands, spacers, peptide linkers and biomolecules 安斯泰来制药株式会社 2021-08-24 CN disclosed
CN-113271973-A Complex comprising a ligand and a CEACAM5 antibody Fab fragment 安斯泰来制药株式会社 2021-08-17 CN disclosed
CN-112135841-A Complexes comprising anti-human MUC1 antibody Fab fragments, peptide linkers, and/or ligands 安斯泰来制药株式会社 2020-12-25 CN disclosed