SCHEMBL8501765

SCHEMBL8501765

NC(CCCN(CCCN(CCC(CC(=O)O)CN(CCCN(CCCC(N)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.45
PAX8 Q06710 1/20 0.45
ANPEP P15144 1/20 0.35
SLC15A1 P46059 1/20 0.35
IDO1 P14902 1/20 0.35
LTA4H P09960 5/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
CASP1 P29466 2/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A1 P43005 1/20 0.34

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
SCHEMBL7893100 0.84 CCR6 (0.43) CCR6PAX8ANPEPIDO1LTA4H
SCHEMBL417676 0.82 CCR6 (0.52) CCR6PAX8ANPEPIDO1LTA4H
SCHEMBL417986 0.80 CCR6 (0.53) CCR6PAX8ANPEPSLC15A1IDO1
SCHEMBL415523 0.79 CCR6 (0.54) CCR6PAX8IDO1LTA4HSLC1A3
SCHEMBL27944748 0.78 CCR6 (0.53) CCR6PAX8ANPEPSLC15A1IDO1
SCHEMBL7893066 0.77 CCR6 (0.41) CCR6PAX8SLC15A1IDO1LTA4H
SCHEMBL16921501 0.75 CCR6 (0.49) CCR6PAX8ANPEPSLC15A1LTA4H
SCHEMBL4161005 0.74 IDO1 (0.53) ANPEPSLC15A1IDO1LTA4HDPP8
SCHEMBL10441465 0.74 IDO1 (0.53) ANPEPSLC15A1IDO1LTA4HDPP8
SCHEMBL8892981 0.74 SLC1A1 (0.46) CCR6PAX8SLC15A1LTA4HSLC1A3

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
US-5994109-A INCLUDES COMPLEX CONTAINING A BINDING MOLECULE WHICH NON-COVALENTLY BINDS TO THE NUCLEIC ACID AND COVALENTLY LINKS TO A SURFACE LIGAND, NUCLEAR LIGAND AND/OR A LYSIS AGENT; MAY BE LINKED TO THE BINDING MOLECULE BY SPACERS BAYLOR COLLEGE OF MEDICINE (US) 1999-11-30 US disclosed