SCHEMBL6671889

SCHEMBL6671889

O=C(O)CNCC(=O)OCOC(=O)CNCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.46
CA2 P00918 7/20 0.46
TSHR P16473 1/20 0.36
EGLN1 Q9GZT9 3/20 0.35
ALDH1A1 P00352 2/20 0.33
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
LMNA P02545 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
CTH P32929 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 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
SCHEMBL565701 0.83 GAA (0.54) CA1CA2EGLN1ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL28426151 0.81 GAA (0.52) CA1CA2EGLN1ALDH1A1CYP2D6
SCHEMBL892182 0.81 CA1 (0.46) CA1CA2TSHREGLN1
SCHEMBL11699076 0.80 CA1 (0.45) CA1CA2TSHREGLN1
SCHEMBL11280682 0.80 CA1 (0.45) CA1CA2EGLN1ALDH1A1CYP2D6
SCHEMBL27023 0.80
SCHEMBL4816014 0.80 LMNA (0.50) CA1CA2TSHREGLN1ALDH1A1
SCHEMBL3720919 0.79 CA1 (0.39) CA1CA2TSHREGLN1LDHA
SCHEMBL2303378 0.79 TSHR (0.52) CA1CA2TSHREGLN1ALDH1A1
Water SCHEMBL11884548 0.78 CA1 (0.44) CA1CA2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1282394-B1 USE OF N,N'-DIBENZYL ETHYLENE DIAMINE N,N'-DIACETIC ACID DERIVATIVES AS ANTI-POLLUTION AGENT OREAL (FR) 2004-09-29 EP disclosed
EP-1282394-A1 USE OF N,N'-DIBENZYL ETHYLENE DIAMINE N,N'-DIACETIC ACID DERIVATIVES AS ANTI-POLLUTION AGENT L'OREAL (FR) 2003-02-12 EP disclosed
WO-2001087253-A1 USE OF N,N'-DIBENZYL ETHYLENE DIAMINE N,N'-DIACETIC ACID DERIVATIVES AS ANTI-POLLUTION AGENT L'OREAL (FR) 2001-11-22 WO disclosed
EP-0668854-A1 USE OF N-ARYLMETHYLENE, ETHYLENEDIAMINETRIACETATES N-ARYLMETHYLENE IMINODIACENTATES OR N, N'-DIARYLMETHYLENE ETHYLENEDIAMINACETATES FOR USE IN COMBATTING OXIDATIVE STRESS L'OREAL (FR) 1995-08-30 EP disclosed