SCHEMBL3373409

SCHEMBL3373409

CC(O)c1cc(O)c(O)c(CCN(CC(=O)O)CC(=O)O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.35
EYA2 O00167 1/20 0.35
APP P05067 1/20 0.35
ACE P12821 1/20 0.35
KDM4E B2RXH2 5/20 0.34
BLM P54132 5/20 0.34
TSHR P16473 3/20 0.34
PMP22 Q01453 3/20 0.34
LMNA P02545 2/20 0.34
ALOX15 P16050 2/20 0.34
SLC6A2 P23975 2/20 0.34
CHRM2 P08172 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A4 P31645 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADRA1A P35348 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL3372548 0.87 HSD17B10 (0.36) TDP1KDM4EBLMTSHRPMP22
SCHEMBL3377925 0.77 TDP1 (0.39) TDP1EYA2APPACEKDM4E
SCHEMBL3377946 0.76 POLB (0.47) TDP1EYA2APPACEKDM4E
SCHEMBL3376819 0.73 CA1 (0.38) CA1CA2CA4
SCHEMBL3376350 0.70 IAPP (0.51) TDP1EYA2APPACEKDM4E
SCHEMBL31305651 0.69 TDP1 (0.34) TDP1EYA2APPACEKDM4E
SCHEMBL2990688 0.67 GABRA1 (0.50) TDP1KDM4EBLMTSHRLMNA
SCHEMBL21335342 0.66 HSP90AA1 (0.44) TDP1EYA2APPACETSHR
Edetic Acid SCHEMBL20641676 0.65 TDP1 (0.74) TDP1EYA2APPACEKDM4E
SCHEMBL3376720 0.65 SELL (0.43) 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
US-7645731-B1 Use of aminocarboxylate functionalized catechols for cleaning applications ECOLAB INC. (US) 2010-01-12 US disclosed