SCHEMBL6161950

SCHEMBL6161950

O=C(O)CN(CC(=O)O)Cc1cccc(-c2cccc(-c3cccc(CN(CC(=O)O)CC(=O)O)n3)n2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.37
ALOX15 P16050 2/20 0.37
TSHR P16473 2/20 0.37
CYP2C19 P33261 2/20 0.37
HIF1A Q16665 1/20 0.37
AOC3 Q16853 1/20 0.36
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 0.35
EYA2 O00167 1/20 0.35
APP P05067 1/20 0.35
ACE P12821 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CHRM2 P08172 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 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
SCHEMBL8765490 0.98 TDP1 (0.38) TDP1ALOX15TSHRCYP2C19HIF1A
SCHEMBL14496263 0.90 ALOX15 (0.40) TDP1ALOX15TSHRCYP2C19HIF1A
SCHEMBL11303061 0.89 AOC3 (0.36) TDP1ALOX15TSHRCYP2C19HIF1A
SCHEMBL377313 0.89 NPSR1 (0.41) TDP1ALOX15TSHRCYP2C19HIF1A
SCHEMBL13997749 0.87 LTB4R (0.39) PPARGPPARAKDM4EMEN1RAB9A
SCHEMBL23627732 0.85 MEP1B (0.38) HDAC1HDAC2KDM4EEPORMEN1
SCHEMBL13492109 0.85 SMPD2 (0.36) TDP1ALOX15TSHRCYP2C19HIF1A
SCHEMBL13997750 0.84 LTB4R (0.41) AOC3PPARGPPARAHDAC1KDM4E
SCHEMBL9594349 0.84 LTB4R (0.41) AOC3PPARGPPARAHDAC1KDM4E
SCHEMBL9594479 0.83 MCL1 (0.37) AOC3PPARGPPARAHDAC1HDAC2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770610-B1 Biospecific binding reactants labelled with luminescent lanthanide chelates and their use WALLAC OY (FI) 2005-07-06 EP disclosed
EP-0770610-A1 Biospecific binding reactants labelled with luminescent lanthanide chelates and their use WALLAC OY (FI) 1997-05-02 EP disclosed
EP-0403593-B1 TERPYRIDINE DERIVATIVES WALLAC OY (FI) 1997-03-19 EP disclosed
US-5324825-A Terpyridine derivatives WALLAC OY (FI) 1994-06-28 US disclosed
US-5202423-A Terpyridine derivatives WALLAC OY 1993-04-13 US disclosed