SCHEMBL29953018

SCHEMBL29953018

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
AKR1C3 P42330 1/20 0.49
SMYD3 Q9H7B4 2/20 0.49
FABP4 P15090 1/20 0.49
HTT P42858 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL29958499 0.94 MAPK1 (0.54) MEN1KMT2AALDH1A1L3MBTL1AKR1C3
SCHEMBL29953684 0.91 SMYD3 (0.51) MEN1KMT2AALDH1A1L3MBTL1AKR1C3
SCHEMBL29957012 0.74 ITGB3 (0.44) MEN1KMT2AALDH1A1SMYD3POLB
SCHEMBL29191072 0.74 MEN1 (0.70) MEN1KMT2AALDH1A1AKR1C3SMYD3
SCHEMBL14843672 0.73 SMYD3 (0.49) MEN1KMT2AALDH1A1L3MBTL1AKR1C3
SCHEMBL5655124 0.73 MAPK1 (0.68) MEN1KMT2AALDH1A1FABP4POLB
SCHEMBL18409238 0.72 FABP4 (0.77) ALDH1A1FABP4POLBMAPK1KDM4E
SCHEMBL29955250 0.71 SMYD3 (0.47) MEN1KMT2AALDH1A1L3MBTL1AKR1C3
SCHEMBL8284047 0.70 TDP1 (0.58) MEN1KMT2AALDH1A1L3MBTL1AKR1C3
SCHEMBL29957675 0.70 SMYD3 (0.40) MEN1KMT2AALDH1A1L3MBTL1AKR1C3

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