SCHEMBL28637693

SCHEMBL28637693

CC(=O)N(CCO)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
EYA2 O00167 1/20 0.40
APP P05067 1/20 0.40
ACE P12821 1/20 0.40
KDM4E B2RXH2 3/20 0.39
BLM P54132 2/20 0.39
PMP22 Q01453 2/20 0.39
ALOX15 P16050 2/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
TSHR P16473 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL474902 0.82 MAPT (0.40) TDP1KDM4EALOX15LMNAHSD17B10
SCHEMBL8940796 0.82 MAPT (0.40) TDP1KDM4EALOX15LMNAHSD17B10
SCHEMBL2687920 0.82 TDP1 (0.43) TDP1EYA2APPACEKDM4E
SCHEMBL30241145 0.81 CA12 (0.44) TDP1EYA2APPACEKDM4E
Water SCHEMBL7765705 0.79 TDP1 (0.41) TDP1EYA2APPACEKDM4E
Water SCHEMBL7765711 0.79 TDP1 (0.41) TDP1EYA2APPACEKDM4E
SCHEMBL6788905 0.79 TDP1 (0.41) TDP1EYA2APPACEKDM4E
SCHEMBL1712773 0.79 ALDH1A1 (0.42) KDM4ELMNATSHRADRA1AALDH1A1
SCHEMBL15224079 0.79 TDP1 (0.39) TDP1EYA2APPACEKDM4E
SCHEMBL2153553 0.79 TDP1 (0.39) TDP1EYA2APPACEKDM4E

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
CN-113439081-A Pyridazinium compounds for use in methods of controlling unwanted plant growth 先正达农作物保护股份公司 2021-09-24 CN disclosed