SCHEMBL29953314

SCHEMBL29953314

CCN(CC(=O)NC(C)C)c1ccc(C=O)o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.63
HTT P42858 5/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
MAPT P10636 9/20 0.55
MEN1 O00255 8/20 0.55
KMT2A Q03164 8/20 0.55
KDM4E B2RXH2 5/20 0.55
USP2 O75604 3/20 0.55
IDE P14735 2/20 0.55
GAA P10253 2/20 0.44
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 3/20 0.40
HPGD P15428 2/20 0.40
PKM P14618 2/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 3/20 0.37
GFER P55789 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
SCHEMBL29955058 0.85 GAA (0.49) ALDH1A1HTTL3MBTL1MAPTMEN1
SCHEMBL29956317 0.85 ALDH1A1 (0.69) ALDH1A1HTTL3MBTL1MAPTMEN1
SCHEMBL29950834 0.83 ALDH1A1 (0.67) ALDH1A1HTTL3MBTL1MAPTMEN1
SCHEMBL7653003 0.79 ALDH1A1 (1.00) ALDH1A1HTTL3MBTL1MAPTMEN1
SCHEMBL29952095 0.74 ALDH1A1 (0.59) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL29953285 0.74 ALDH1A1 (0.56) ALDH1A1HTTL3MBTL1MAPTMEN1
SCHEMBL29953981 0.71 MEN1 (0.43) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL15330010 0.71 ALDH1A1 (0.53) ALDH1A1HTTL3MBTL1MAPTMEN1
SCHEMBL29951078 0.69 ALDH1A1 (0.50) ALDH1A1HTTL3MBTL1MAPTMEN1
SCHEMBL29957848 0.69 GAA (0.53) ALDH1A1HTTL3MBTL1MAPTMEN1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed