SCHEMBL29957047

SCHEMBL29957047

CN(CC(N)=O)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 1/20 0.39
TDP1 Q9NUW8 4/20 0.38
EYA2 O00167 1/20 0.38
APP P05067 1/20 0.38
ACE P12821 1/20 0.38
MVD P53602 1/20 0.36
CYP2C19 P33261 3/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
ALOX15 P16050 2/20 0.36
BLM P54132 2/20 0.36
PMP22 Q01453 2/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
TSHR P16473 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL13407442 0.89 LMNA (0.37) TDP1CYP2C19KDM4ELMNAALOX15
SCHEMBL22061 0.86 TDP1 (0.47) BHMTTDP1EYA2APPACE
SCHEMBL28873500 0.83 TDP1 (0.45) BHMTTDP1EYA2APPACE
SCHEMBL28410047 0.83 TDP1 (0.45) BHMTTDP1EYA2APPACE
SCHEMBL692962 0.83 TDP1 (0.45) BHMTTDP1EYA2APPACE
SCHEMBL18229249 0.83 TDP1 (0.45) BHMTTDP1EYA2APPACE
SCHEMBL6323180 0.83 TDP1 (0.45) BHMTTDP1EYA2APPACE
SCHEMBL6518392 0.83 TDP1 (0.45) BHMTTDP1EYA2APPACE
SCHEMBL6550670 0.83 TDP1 (0.45) BHMTTDP1EYA2APPACE
SCHEMBL28034276 0.83 TDP1 (0.45) BHMTTDP1EYA2APPACE

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