SCHEMBL8768896

SCHEMBL8768896

C#CCN(CO)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
EYA2 O00167 1/20 0.48
APP P05067 1/20 0.48
ACE P12821 1/20 0.48
TSHR P16473 3/20 0.46
BLM P54132 2/20 0.46
PMP22 Q01453 2/20 0.46
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
ALOX15 P16050 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL10733820 0.95 TDP1 (0.52) TDP1EYA2APPACETSHR
SCHEMBL8916290 0.84 TDP1 (0.42) TDP1EYA2APPACETSHR
SCHEMBL17123709 0.81
SCHEMBL12807563 0.79 TDP1 (0.38) TDP1EYA2APPACETSHR
SCHEMBL783967 0.78 TDP1 (0.65) TDP1EYA2APPACETSHR
SCHEMBL66358 0.78
SCHEMBL1418294 0.75 TDP1 (0.61) TDP1EYA2APPACETSHR
Water SCHEMBL28807136 0.75 TDP1 (0.61) TDP1EYA2APPACETSHR
SCHEMBL3902066 0.75 TDP1 (0.61) TDP1EYA2APPACETSHR
Ammonia Solution, Strong SCHEMBL3913168 0.75 TDP1 (0.61) TDP1EYA2APPACETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792146-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-09-03 EP claimed
WO-1997002028-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-01-23 WO claimed
EP-0792146-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-09-03 EP disclosed
WO-1997002028-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-01-23 WO disclosed