SCHEMBL24095922

SCHEMBL24095922

CC(C)(C)OC(=O)NCC(=O)c1ncco1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.47
CES1 P23141 5/20 0.42
HDAC3 O15379 4/20 0.38
HDAC4 P56524 4/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC7 Q8WUI4 4/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC10 Q969S8 4/20 0.38
HDAC11 Q96DB2 4/20 0.38
HDAC8 Q9BY41 4/20 0.38
HDAC6 Q9UBN7 4/20 0.38
HDAC9 Q9UKV0 4/20 0.38
HDAC5 Q9UQL6 4/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
NCEH1 Q6PIU2 1/20 0.37

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
SCHEMBL4154646 0.78 L3MBTL1 (0.43) CA12CA1CA2CA9
SCHEMBL10178236 0.75 HTT (0.54) CA12CA1CA2CA9
SCHEMBL1325546 0.75 FAAH (0.46) FAAHCES1HDAC3HDAC4HDAC1
SCHEMBL24095817 0.75 FAAH (0.50) FAAHCES1HDAC3HDAC4HDAC1
SCHEMBL16492825 0.73 TRPA1 (0.41) FAAHCA1CA2
SCHEMBL23367075 0.73 ALDH1A1 (0.40)
SCHEMBL17891334 0.73 TRPA1 (0.41) FAAHCA1CA2
SCHEMBL21645472 0.72 FAAH (0.48) FAAHCES1HDAC3HDAC4HDAC1
SCHEMBL21645474 0.72 FAAH (0.48) FAAHCES1HDAC3HDAC4HDAC1
SCHEMBL23314817 0.72 PCSK9 (0.41) CA12CA1CA2CA9

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