SCHEMBL24096090

SCHEMBL24096090

CC(=O)C[C@@H](N)C(=O)NC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
EPHX1 P07099 1/20 0.33
HDAC2 Q92769 1/20 0.33
POLB P06746 1/20 0.32
GRIK1 P39086 2/20 0.32
CTSC P53634 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL12234245 0.83 ECE1 (0.36) ALDH1A1HDAC2POLBGRIK1CTSC
SCHEMBL22369843 0.83 MAPT (0.41) GRIK1MAPT
SCHEMBL12234209 0.83 MAPT (0.41) GRIK1MAPT
SCHEMBL26300607 0.83 ECE1 (0.36) ALDH1A1HDAC2POLBGRIK1CTSC
SCHEMBL7412904 0.79 SLC7A5 (0.50) POLB
SCHEMBL7412900 0.79 SLC7A5 (0.50) POLB
SCHEMBL12234240 0.78 SPHK1 (0.35) ALDH1A1TDP1HDAC2POLBCTSC
SCHEMBL13958827 0.78 DPP7 (0.40) ALDH1A1EPHX1HDAC2POLBCTSC
SCHEMBL6494785 0.78 DPP7 (0.41) HDAC2POLBCTSC
SCHEMBL24543395 0.78 DPP7 (0.40) ALDH1A1EPHX1HDAC2POLBCTSC

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-2021252640-A1 ASPARAGINE DERIVATIVES AND METHODS OF USING SAME SENDA BIOSCIENCES, INC. (US) 2021-12-16 WO disclosed