SCHEMBL3962618

SCHEMBL3962618

Cc1ccc(O)c(CN(CCN(CC(=O)O)CC(=O)O)Cc2cc(C)ccc2O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
TDP1 Q9NUW8 2/20 0.44
EYA2 O00167 1/20 0.44
APP P05067 1/20 0.44
ACE P12821 1/20 0.44
AMY1A P0DUB6 1/20 0.44
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2A P08913 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADRA1A P35348 1/20 0.42
DRD3 P35462 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42

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
SCHEMBL545256 0.95 HTT (0.48) HTTTDP1EYA2APPACE
SCHEMBL935126 0.94 HTT (0.47) HTTTDP1EYA2APPACE
Hydrochloric Acid SCHEMBL934885 0.94 HTT (0.47) HTTTDP1EYA2APPACE
SCHEMBL935095 0.94 HTT (0.47) HTTTDP1EYA2APPACE
SCHEMBL23629772 0.94 HTT (0.47) HTTTDP1EYA2APPACE
Hydrochloric Acid SCHEMBL2794700 0.92 HTT (0.46) HTTTDP1EYA2APPACE
SCHEMBL16660357 0.88 HTT (0.52) HTTTDP1AMY1ALMNACHRM2
SCHEMBL23425468 0.86 POLB (0.42) HTTTDP1AMY1AALOX15TSHR
SCHEMBL22693634 0.85 HTT (0.41) HTTAMY1ALMNACHRM2TSHR
SCHEMBL5268211 0.84 SRC (0.43) HTTTDP1EYA2APPACE

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
WO-2009037235-A1 A PROCESS FOR THE PREPARATION OF N,N'-BIS(2-HYDROXYBENZYL)ETHYLENEDIAMINE-N,N'-DIACETIC ACID AND ITS DERIVATIVES PRZEDSIEBIORSTWO PRODUKCYJNO-CONSULTINGOWE ADOB SP. Z O.O. SP. K. (PL) 2009-03-26 WO disclosed