SCHEMBL29954294

SCHEMBL29954294

CCN(CCC=O)CC(=O)NC

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
MC4R P32245 1/20 0.33
SCN4A P35499 1/20 0.33
MC3R P41968 1/20 0.33
HTR3A P46098 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
SCN3A Q9NY46 1/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
BLM P54132 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
PAOX Q6QHF9 1/20 0.31
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL29953265 0.87 ALDH1A1 (0.33) ALDH1A1GAATSHR
SCHEMBL29952074 0.84 MCL1 (0.33) ALDH1A1LMNAMAPTCYP3A4MAPK1
SCHEMBL13793892 0.82 ALDH1A1 (0.38) ALDH1A1LMNAMAPTCYP3A4MAPK1
SCHEMBL29950896 0.81 ALDH1A1 (0.35) ALDH1A1LMNAMAPTCYP3A4MAPK1
SCHEMBL29951451 0.81 ALDH1A1 (0.42) ALDH1A1LMNAMAPTCYP3A4MAPK1
SCHEMBL16264304 0.80 ALDH1A1 (0.37) ALDH1A1LMNAMAPTCYP3A4MAPK1
SCHEMBL9906898 0.80 ALDH1A1 (0.46) ALDH1A1LMNAMAPTCYP3A4MAPK1
SCHEMBL13254648 0.77 ALDH1A1 (0.35) ALDH1A1LMNAMAPTCYP3A4MAPK1
SCHEMBL29953331 0.77 ALDH1A1 (0.33) ALDH1A1LMNAHPGD
SCHEMBL13895312 0.77 KDM5A (0.44) ALDH1A1LMNAMAPTCYP3A4MAPK1

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