SCHEMBL31435019

SCHEMBL31435019

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
CA4 P22748 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
GGT1 P19440 1/20 0.36
MME P08473 4/20 0.36
SLC22A6 Q4U2R8 1/20 0.35
FOLH1 Q04609 1/20 0.34
RIMKLA Q8IXN7 1/20 0.34
NAALAD2 Q9Y3Q0 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
GNPAT O15228 1/20 0.33

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
SCHEMBL7054962 1.00 CA2 (0.41) CA2CA4TDP1SMN1; SMN2GGT1
SCHEMBL3937150 1.00 CA2 (0.41) CA2CA4TDP1SMN1; SMN2GGT1
SCHEMBL3841887 1.00 CA2 (0.41) CA2CA4TDP1SMN1; SMN2GGT1
SCHEMBL39257 0.93 CA2 (0.45) CA2CA4TDP1SMN1; SMN2GGT1
SCHEMBL15637714 0.93 CA2 (0.45) CA2CA4TDP1SMN1; SMN2GGT1
SCHEMBL4992798 0.93 CA2 (0.45) CA2CA4TDP1SMN1; SMN2GGT1
SCHEMBL5825896 0.93 CA2 (0.45) CA2CA4TDP1SMN1; SMN2GGT1
SCHEMBL414800 0.93 CA2 (0.45) CA2CA4TDP1SMN1; SMN2GGT1
SCHEMBL23248621 0.92 CA2 (0.37) CA2CA4TDP1SMN1; SMN2GGT1
SCHEMBL8660403 0.92 CA2 (0.37) CA2CA4TDP1SMN1; SMN2GGT1

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
US-20250136488-A1 Extended- and Multimodal-Release Compositions Finoric LLC 2025-05-01 US claimed
US-20250136488-A1 Extended- and Multimodal-Release Compositions Finoric LLC 2025-05-01 US disclosed