SCHEMBL29955823

SCHEMBL29955823

CC(C)N(CC(N)=O)c1ccc(C=O)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.37
KDM4E B2RXH2 7/20 0.35
MAPT P10636 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HSP90AA1 P07900 1/20 0.35
MEN1 O00255 2/20 0.33
USP2 O75604 2/20 0.33
KMT2A Q03164 2/20 0.33
ALOX5 P09917 2/20 0.33
IDE P14735 1/20 0.33
POLB P06746 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 2/20 0.33
TP53 P04637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL29955747 0.80 GAA (0.56) ALDH1A1L3MBTL1HTTGAATSHR
SCHEMBL15330010 0.80 ALDH1A1 (0.53) ALDH1A1L3MBTL1HTTGAATSHR
SCHEMBL29952488 0.73 ALDH1A1 (0.55) ALDH1A1L3MBTL1HTTGAATSHR
SCHEMBL29952511 0.72 ALDH1A1 (0.43) ALDH1A1L3MBTL1HTTGAATSHR
SCHEMBL15330157 0.71 ALDH1A1 (0.44) ALDH1A1L3MBTL1GAAKDM4EMAPT
SCHEMBL15332332 0.69 POLB (0.36) ALDH1A1HTTTSHRMEN1KMT2A
SCHEMBL29955058 0.69 GAA (0.49) ALDH1A1L3MBTL1HTTGAATSHR
Urea SCHEMBL23160877 0.67 ALDH1A1 (0.52) ALDH1A1L3MBTL1HTTGAATSHR
SCHEMBL4667657 0.66 ALDH1A1 (0.46) ALDH1A1HTTTSHRMAPTNPC1
SCHEMBL3048491 0.66 GAA (1.00) ALDH1A1L3MBTL1HTTGAATSHR

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