SCHEMBL29953684

SCHEMBL29953684

CC(=O)c1c[nH]c(C(=O)NCCC(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
AKR1C3 P42330 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
EGLN1 Q9GZT9 1/20 0.48
ALDH1A1 P00352 5/20 0.48
BRD4 O60885 1/20 0.44
HTT P42858 1/20 0.43
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL29953018 0.91 MEN1 (0.52) SMYD3L3MBTL1AKR1C3MEN1KMT2A
SCHEMBL29958499 0.89 MAPK1 (0.54) SMYD3L3MBTL1AKR1C3MEN1KMT2A
SCHEMBL7845382 0.78 PKM (0.60) L3MBTL1MEN1KMT2AEGLN1
SCHEMBL19058454 0.78 SMYD3 (0.51) SMYD3L3MBTL1AKR1C3MEN1KMT2A
SCHEMBL29191072 0.77 MEN1 (0.70) SMYD3AKR1C3MEN1KMT2AALDH1A1
SCHEMBL14843674 0.75 SMYD3 (0.49) SMYD3L3MBTL1AKR1C3MEN1KMT2A
SCHEMBL14843672 0.75 SMYD3 (0.49) SMYD3L3MBTL1AKR1C3MEN1KMT2A
SCHEMBL2644934 0.74 CA1 (0.61) L3MBTL1ALDH1A1POLB
SCHEMBL29955250 0.74 SMYD3 (0.47) SMYD3L3MBTL1AKR1C3MEN1KMT2A
SCHEMBL20748619 0.73 EGLN1 (0.35) SMYD3L3MBTL1MEN1KMT2AEGLN1

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