SCHEMBL25243333

SCHEMBL25243333

O=[C]C(NCC(=O)O)NCC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PTGS2 P35354 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
CTH P32929 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL6881661 0.72 ALDH1A1 (0.33) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL6881655 0.72 ALDH1A1 (0.33) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL9069027 0.72 ALDH1A1 (0.38) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL3387110 0.72 ALDH1A1 (0.33) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL28536446 0.71 LDHA (0.41) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL16267390 0.70
SCHEMBL987124 0.69
SCHEMBL3621769 0.68
SCHEMBL161143 0.67
SCHEMBL3179343 0.67 LDHA (0.37) ALDH1A1LMNAMAPTPTGS2TDP1

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
EP-4204441-A1 INSULIN RECEPTOR PARTIAL AGONISTS Merck Sharp & Dohme LLC (US) 2023-07-05 EP disclosed