SCHEMBL24946291

SCHEMBL24946291

CC(C)(C)OC(=O)NCc1ccc(CC(C(=O)O)N(CC(=O)O)CC(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
SDCBP O00560 1/20 0.44
SDC2 P34741 1/20 0.44
ATM Q13315 1/20 0.44
HDAC1 Q13547 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NAMPT P43490 2/20 0.42
GAA P10253 1/20 0.42
CTSS P25774 6/20 0.41
CTSK P43235 5/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40

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
SCHEMBL24946290 0.85 PPARG (0.50) ATMCTSSCTSK
SCHEMBL24946398 0.84 L3MBTL1 (0.43) L3MBTL1SDCBPSDC2ATMHDAC1
SCHEMBL19930013 0.80 PLAU (0.52) HDAC1NAMPTCTSSCTSKCTSL
SCHEMBL21533322 0.79 L3MBTL1 (0.49) L3MBTL1SDCBPSDC2ATMHDAC1
SCHEMBL10441345 0.79 SDCBP (0.54) L3MBTL1SDCBPSDC2ATMHDAC1
SCHEMBL24946310 0.78 MEN1 (0.52) ATMHDAC1MEN1KMT2ANAMPT
SCHEMBL12463672 0.78 SLC7A5 (0.52) L3MBTL1SDCBPSDC2ATMHDAC1
SCHEMBL20038756 0.78 SLC7A5 (0.52) L3MBTL1SDCBPSDC2ATMHDAC1
SCHEMBL3180689 0.78 L3MBTL1 (0.61) L3MBTL1SDCBPSDC2HDAC1NAMPT
SCHEMBL12463287 0.78 SLC7A5 (0.52) L3MBTL1SDCBPSDC2ATMHDAC1

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