SCHEMBL7893100

SCHEMBL7893100

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.43
PAX8 Q06710 1/20 0.43
ANPEP P15144 1/20 0.34
IDO1 P14902 1/20 0.34
LTA4H P09960 3/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
SLC1A3 P43003 3/20 0.33
SLC1A1 P43005 3/20 0.33
HTT P42858 1/20 0.33
SLC1A2 P43004 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
IL1RN P18510 1/20 0.32
ERAP2 Q6P179 1/20 0.32

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
SCHEMBL7893066 0.94 CCR6 (0.41) CCR6PAX8IDO1LTA4HSLC1A3
SCHEMBL8501765 0.84 CCR6 (0.45) CCR6PAX8ANPEPIDO1LTA4H
SCHEMBL8199956 0.81 HTT (0.43) CCR6PAX8ANPEPLTA4HDPP8
SCHEMBL417676 0.81 CCR6 (0.52) CCR6PAX8ANPEPIDO1LTA4H
SCHEMBL417986 0.79 CCR6 (0.53) CCR6PAX8ANPEPIDO1LTA4H
SCHEMBL415523 0.77 CCR6 (0.54) CCR6PAX8IDO1LTA4HSLC1A3
SCHEMBL27944748 0.76 CCR6 (0.53) CCR6PAX8ANPEPIDO1LTA4H
SCHEMBL16921501 0.74 CCR6 (0.49) CCR6PAX8ANPEPLTA4HSLC1A3
SCHEMBL4161005 0.72 IDO1 (0.53) ANPEPIDO1LTA4HDPP8DPP7
SCHEMBL10441465 0.72 IDO1 (0.53) ANPEPIDO1LTA4HDPP8DPP7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6177554-B1 INCLUDING A BINDING COMPLEX WHICH CONTAINS 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; FOR DELIVERING NUCLEIC ACID INTO A CELL BAYLOR COLLEGE OF MEDICINE 2001-01-23 US disclosed
US-6150168-A COMPLEX CONTAINING A BINDING MOLECULE WHICH NON-COVALENTLY BINDS TO THE NUCLEIC ACID AND COVALENTLY LINKS TO A SURFACE LIGAND AND A NUCLEAR LIGAND; FOR GENE THERAPY BAYLOR COLLEGE OF MEDICINE (US) 2000-11-21 US disclosed
US-6033884-A DELIVERING NUCLEIC ACID INTO A CELL. BAYLOR COLLEGE OF MEDICINE (US) 2000-03-07 US disclosed
WO-1993018759-A1 A DNA TRANSPORTER SYSTEM AND METHOD OF USE BAYLOR COLLEGE OF MEDICINE (US) 1993-09-30 WO disclosed