SCHEMBL18794824

SCHEMBL18794824

O=C(O)CN[C@@H](CN[C@@H](CC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.39
CA4 P22748 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
MME P08473 3/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
FOLH1 Q04609 1/20 0.32
RIMKLA Q8IXN7 1/20 0.32
NAALAD2 Q9Y3Q0 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
GNPAT O15228 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL18794825 1.00 CA2 (0.39) CA2CA4TDP1SMN1; SMN2MME
SCHEMBL17616069 1.00 CA2 (0.39) CA2CA4TDP1SMN1; SMN2MME
SCHEMBL20521 0.91 CA2 (0.44) CA2CA4TDP1SMN1; SMN2MME
SCHEMBL472192 0.91 CA2 (0.44) CA2CA4TDP1SMN1; SMN2MME
SCHEMBL10801439 0.89 CA2 (0.42) CA2CA4TDP1SMN1; SMN2MME
SCHEMBL10801445 0.89 CA2 (0.42) CA2CA4TDP1SMN1; SMN2MME
SCHEMBL28372032 0.89 CA2 (0.42) CA2CA4TDP1SMN1; SMN2MME
SCHEMBL28623751 0.89 CA2 (0.42) CA2CA4TDP1SMN1; SMN2MME
SCHEMBL28623754 0.89 CA2 (0.42) CA2CA4TDP1SMN1; SMN2MME
Phosphine SCHEMBL27579074 0.89 CA2 (0.42) CA2CA4TDP1SMN1; SMN2MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017070794-A1 PROCESS FOR THE PREPARATION OF 2-[2-(2-AMINO-2-CARBOXY-ETHYLAMINO)-2-CARBOXY-ETHYLAMINO]-SUCCINIC ACID (AM-A) AND ANALOGS AND DERIVATIVES THEREOF MCMASTER UNIVERSITY (CA) 2017-05-04 WO disclosed
WO-2017070794-A1 PROCESS FOR THE PREPARATION OF 2-[2-(2-AMINO-2-CARBOXY-ETHYLAMINO)-2-CARBOXY-ETHYLAMINO]-SUCCINIC ACID (AM-A) AND ANALOGS AND DERIVATIVES THEREOF MCMASTER UNIVERSITY (CA) 2017-05-04 WO disclosed