SCHEMBL29024971

SCHEMBL29024971

C#CB(O)O.CN(CC(=O)O)CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
MVD P53602 1/20 0.33
EYA2 O00167 1/20 0.33
APP P05067 1/20 0.33
ACE P12821 1/20 0.33
BHMT Q93088 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADRA1A P35348 1/20 0.32
DRD3 P35462 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32

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
Boric Acid SCHEMBL28042238 0.83 TDP1 (0.41) TDP1MVDEYA2APPACE
Methane Boronic Acid SCHEMBL29085422 0.80 TDP1 (0.39) TDP1MVDEYA2APPACE
SCHEMBL22061 0.80 TDP1 (0.47) TDP1MVDEYA2APPACE
SCHEMBL6518392 0.77 TDP1 (0.45) TDP1MVDEYA2APPACE
SCHEMBL28873500 0.77 TDP1 (0.45) TDP1MVDEYA2APPACE
SCHEMBL6323180 0.77 TDP1 (0.45) TDP1MVDEYA2APPACE
SCHEMBL28410047 0.77 TDP1 (0.45) TDP1MVDEYA2APPACE
SCHEMBL18229249 0.77 TDP1 (0.45) TDP1MVDEYA2APPACE
SCHEMBL6550670 0.77 TDP1 (0.45) TDP1MVDEYA2APPACE
SCHEMBL692962 0.77 TDP1 (0.45) TDP1MVDEYA2APPACE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119069791-A Organic electrolyte, sodium ion secondary battery and electric equipment 珠海鹏辉能源有限公司 2024-12-03 CN disclosed
CN-115286688-B Novel copper peptide and preparation method and application thereof 浙江湃肽生物股份有限公司 2023-05-16 CN disclosed