SCHEMBL5922611

SCHEMBL5922611

C=CCC(=O)O.C=CCN(CC=C)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
EYA2 O00167 1/20 0.42
APP P05067 1/20 0.42
ACE P12821 1/20 0.42
KDM4E B2RXH2 4/20 0.41
ALOX15 P16050 3/20 0.41
BLM P54132 2/20 0.41
PMP22 Q01453 2/20 0.41
LMNA P02545 2/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
TSHR P16473 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADRA1A P35348 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL175747 0.91 TDP1 (0.50) TDP1EYA2APPACEKDM4E
SCHEMBL431521 0.89 TDP1 (0.55) TDP1EYA2APPACEKDM4E
SCHEMBL429048 0.86 TDP1 (0.50) TDP1EYA2APPACEKDM4E
Hydrochloric Acid SCHEMBL8981614 0.84 TDP1 (0.48) TDP1EYA2APPACEKDM4E
SCHEMBL8855492 0.83 TDP1 (0.42) TDP1EYA2APPACEKDM4E
SCHEMBL4245196 0.81 TDP1 (0.41) TDP1EYA2APPACEKDM4E
SCHEMBL10326051 0.80 TDP1 (0.64) TDP1EYA2APPACEKDM4E
SCHEMBL15210188 0.79 TDP1 (0.39) TDP1EYA2APPACEKDM4E
SCHEMBL26558171 0.78 TDP1 (0.42) TDP1EYA2APPACEKDM4E
SCHEMBL10554896 0.78 ALDH1A1 (0.53) ALOX15BLMLMNATSHRSLC6A2

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-20060115539-A1 Micropellets method for the production thereof, and use thereof GLATT GMBH (DE) 2006-06-01 US disclosed