SCHEMBL9306714

SCHEMBL9306714

CCN(CC)CC(=O)O.[Y]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.55
EYA2 O00167 1/20 0.55
APP P05067 1/20 0.55
ACE P12821 1/20 0.55
BLM P54132 3/20 0.52
KDM4E B2RXH2 3/20 0.52
TSHR P16473 3/20 0.52
LMNA P02545 3/20 0.52
PMP22 Q01453 2/20 0.52
ALOX15 P16050 2/20 0.52
CYP2C19 P33261 2/20 0.52
CHRM2 P08172 2/20 0.52
ADRA2A P08913 1/20 0.52
DRD1 P21728 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
ADRA1A P35348 1/20 0.52
DRD3 P35462 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL120640 0.97
SCHEMBL14890359 0.97 TDP1 (0.58) TDP1EYA2APPACEBLM
SCHEMBL9304702 0.94 TDP1 (0.55) TDP1EYA2APPACEBLM
SCHEMBL9305268 0.94 TDP1 (0.55) TDP1EYA2APPACEBLM
Bromide SCHEMBL6981455 0.94 TDP1 (0.55) TDP1EYA2APPACEBLM
SCHEMBL77671 0.94 TDP1 (0.55) TDP1EYA2APPACEBLM
SCHEMBL9306621 0.94 TDP1 (0.55) TDP1EYA2APPACEBLM
Potassium SCHEMBL3894343 0.94 TDP1 (0.55) TDP1EYA2APPACEBLM
Hydrochloric Acid SCHEMBL3219407 0.94 TDP1 (0.55) TDP1EYA2APPACEBLM
SCHEMBL9304543 0.94 TDP1 (0.55) TDP1EYA2APPACEBLM

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
US-5368768-A Copper and barium (dialkylaminoalcoholate) solutions AKZO NOBEL INC. (US) 1994-11-29 US disclosed
US-5252247-A Metal (dialkylaminoalcoholate) solutions AKZO AMERICA INC. (US) 1993-10-12 US disclosed