SCHEMBL8533370

SCHEMBL8533370

C=CC(=O)CN(CC(=O)O)C(=O)C=C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 2/20 0.32
EYA2 O00167 1/20 0.32
APP P05067 1/20 0.32
ACE P12821 1/20 0.32
LMNA P02545 2/20 0.32
GSTO1 P78417 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
ALOX15 P16050 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CHRM2 P08172 1/20 0.31
ADRA2A P08913 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADRA1A P35348 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL6402606 0.91 LMNA (0.38) TSHRALDH1A1TDP1EYA2APP
SCHEMBL4650592 0.82 LMNA (0.35) TSHRTDP1EYA2APPACE
SCHEMBL8018156 0.78 PSMB5 (0.40) TSHRALDH1A1TDP1EYA2APP
SCHEMBL14409181 0.76 GSTO1 (0.39) TSHRALDH1A1LMNAGSTO1ZDHHC20
SCHEMBL17665957 0.75 ZDHHC20 (0.44) TSHRALDH1A1TDP1EYA2APP
SCHEMBL20314810 0.74 GSTO1 (0.30) GSTO1
SCHEMBL4750608 0.74 MEN1 (0.33) TSHRTDP1LMNAGSTO1BLM
SCHEMBL17665963 0.74 RAB9A (0.30) GSTO1
SCHEMBL29199469 0.74 ZDHHC20 (0.33) GSTO1ZDHHC20ZDHHC2
SCHEMBL20314809 0.74 ZDHHC20 (0.54) GSTO1ZDHHC20ZDHHC2

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-1343802-B1 PROCESS FOR THE PREPARATION OF OLIGONUCLEOTIDES AVECIA BIOTECHNOLOGY INC (US) 2012-05-30 EP claimed