SCHEMBL6958710

SCHEMBL6958710

O=C(O)CC(CC(=O)O)N(CC(=O)O)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.41
TDP1 Q9NUW8 3/20 0.39
EYA2 O00167 1/20 0.39
APP P05067 1/20 0.39
ACE P12821 1/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
BLM P54132 2/20 0.38
PMP22 Q01453 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
ALOX15 P16050 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL5871512 0.85 SLC22A6 (0.35) SLC22A6TDP1EYA2APPACE
SCHEMBL7186341 0.84 FOLH1 (0.45) SLC22A6BLMSLC6A2SLC6A4SLC6A3
SCHEMBL2763018 0.79 BLM (0.31) SLC22A6BLMPMP22HSD17B10
SCHEMBL233605 0.79 ALDH1A1 (0.31) SLC22A6TDP1LMNAMAPT
SCHEMBL12296559 0.77 GSR (0.42) LMNATSHRBLMALOX15SLC6A2
SCHEMBL20988015 0.76 FFAR3 (0.38) TDP1EYA2APPACELMNA
SCHEMBL17773052 0.76 SLC22A6 (0.39) SLC22A6TDP1LMNASMN1; SMN2ADRA2A
SCHEMBL22313 0.74 TDP1 (0.42) SLC22A6TDP1EYA2APPACE
SCHEMBL8866927 0.74 TDP1 (0.48) TDP1EYA2APPACELMNA
SCHEMBL1707477 0.74 TDP1 (0.42) SLC22A6TDP1EYA2APPACE

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
EP-0967205-B1 Labeling reactants and their use WALLAC OY (FI) 2003-09-17 EP claimed