SCHEMBL29957675

SCHEMBL29957675

CCN(CCC(=O)O)C(=O)c1cc(C(C)=O)c[nH]1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.40
KMT2A Q03164 3/20 0.39
PKM P14618 3/20 0.39
ALDH1A1 P00352 3/20 0.39
ALDH2 P05091 1/20 0.39
BRD4 O60885 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
AKR1C3 P42330 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL15330958 0.86 KMT2A (0.41) SMYD3KMT2APKMALDH1A1BRD4
SCHEMBL29957012 0.79 ITGB3 (0.44) SMYD3KMT2AALDH1A1POLBMEN1
SCHEMBL29953684 0.72 SMYD3 (0.51) SMYD3KMT2AALDH1A1BRD4AKR1C3
SCHEMBL9039965 0.72 TSHR (0.53) ALDH1A1ALDH2KDM4E
SCHEMBL29954876 0.72 PKM (0.48) SMYD3KMT2APKML3MBTL1TDP1
SCHEMBL18912259 0.71 ALDH1A1 (0.41) KMT2AALDH1A1ALDH2KDM4ESMN1; SMN2
SCHEMBL14306186 0.71 RAB9A (0.40) KMT2AALDH1A1L3MBTL1POLBMEN1
SCHEMBL29953585 0.71 ALDH1A1 (0.38) KMT2AALDH1A1ALDH2BRD4L3MBTL1
SCHEMBL15330269 0.70 TDP1 (0.42) SMYD3KMT2AALDH1A1AKR1C3L3MBTL1
SCHEMBL29953018 0.70 MEN1 (0.52) SMYD3KMT2AALDH1A1AKR1C3L3MBTL1

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