SCHEMBL24945922

SCHEMBL24945922

CC(C)(C)OC(=O)NCCCCC(C(=O)OCc1ccccc1)N(CC(=O)OCc1ccccc1)CC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
FOLH1 Q04609 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
SYK P43405 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
TPSAB1 Q15661 2/20 0.47
TPSD1 Q9BZJ3 2/20 0.47
TPSG1 Q9NRR2 2/20 0.47
KLK7 P49862 2/20 0.47
KLK5 Q9Y337 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RECQL P46063 1/20 0.46
IDO1 P14902 1/20 0.44
PAX8 Q06710 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL24945924 0.97 MAPT (0.50) MAPTFOLH1L3MBTL1SYKPOLB
SCHEMBL4541834 0.88 MAPT (0.56) MAPTFOLH1TPSAB1TPSD1TPSG1
SCHEMBL1882392 0.88 MAPT (0.56) MAPTFOLH1TPSAB1TPSD1TPSG1
SCHEMBL24946310 0.82 MEN1 (0.52) MAPTSYKPOLBMAPK1MEN1
SCHEMBL24622413 0.82 MAPT (0.60) MAPTFOLH1L3MBTL1SYKPOLB
SCHEMBL15723464 0.82 MAPT (0.60) MAPTFOLH1L3MBTL1SYKPOLB
SCHEMBL15227896 0.81 MAPT (0.50) MAPTFOLH1TPSAB1TPSD1TPSG1
SCHEMBL18281086 0.81 FOLH1 (0.52) MAPTFOLH1L3MBTL1SYKPOLB
SCHEMBL5490556 0.81 MAPT (0.59) MAPTL3MBTL1SYKPOLBMAPK1
SCHEMBL20168169 0.81 MAPT (0.59) MAPTL3MBTL1SYKPOLBMAPK1

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
WO-2023002452-A1 PROCESS FOR PREPARATION OF TARGETING LIGANDS Janssen Pharmaceuticals, Inc. (US) 2023-01-26 WO disclosed