SCHEMBL29955058

SCHEMBL29955058

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
ALDH1A1 P00352 8/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
KDM4E B2RXH2 4/20 0.44
USP2 O75604 2/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
IDE P14735 1/20 0.42
TSHR P16473 1/20 0.35
CYP1A2 P05177 2/20 0.34
POLB P06746 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34

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
SCHEMBL29953314 0.85 ALDH1A1 (0.63) GAAALDH1A1HTTL3MBTL1MEN1
SCHEMBL29957848 0.84 GAA (0.53) GAAALDH1A1HTTL3MBTL1MEN1
SCHEMBL29951078 0.82 ALDH1A1 (0.50) GAAALDH1A1HTTL3MBTL1MEN1
SCHEMBL29951512 0.80 ALDH1A1 (0.48) GAAALDH1A1HTTL3MBTL1MEN1
SCHEMBL29951638 0.78 GAA (0.46) GAAALDH1A1HTTL3MBTL1KMT2A
SCHEMBL29955747 0.78 GAA (0.56) GAAALDH1A1HTTL3MBTL1MEN1
SCHEMBL2555212 0.72 CYP2A6 (0.44) GAAALDH1A1HTTMEN1KMT2A
SCHEMBL2559106 0.71 MEN1 (0.45) GAAALDH1A1HTTMEN1KMT2A
SCHEMBL29956317 0.69 ALDH1A1 (0.69) GAAALDH1A1HTTL3MBTL1MEN1
SCHEMBL29955823 0.69 ALDH1A1 (0.47) GAAALDH1A1HTTL3MBTL1MEN1

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