SCHEMBL25589816

SCHEMBL25589816

CN[C@@H](CCC(=O)NCCC(C)=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ MMP2 P08253 10/20 0.39
▸ MMP9 P14780 10/20 0.39
▸ MMP8 P22894 6/20 0.39
▸ MMP12 P39900 6/20 0.39
▸ MMP14 P50281 6/20 0.39
▸ FOLH1 Q04609 2/20 0.38
▸ NOD1 Q9Y239 2/20 0.37
▸ ALB P02768 2/20 0.35
▸ RIMKLA Q8IXN7 1/20 0.35
▸ NAALAD2 Q9Y3Q0 1/20 0.35
▸ GGH Q92820 1/20 0.34
▸ GLP1R P43220 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
SCHEMBL12580525 0.90 FOLH1 (0.42) ALDH1A1MMP2MMP9MMP8MMP12
SCHEMBL14519219 0.84 MMP2 (0.52) ALDH1A1MMP2MMP9MMP8MMP12
SCHEMBL13498182 0.84 GLP1R (0.44) ALDH1A1MMP2MMP9MMP8MMP12
SCHEMBL71800 0.83 FOLH1 (0.43) ALDH1A1FOLH1NOD1RIMKLANAALAD2
SCHEMBL22111315 0.83 FOLH1 (0.43) ALDH1A1FOLH1NOD1RIMKLANAALAD2
SCHEMBL12118214 0.83 FOLH1 (0.43) ALDH1A1FOLH1NOD1RIMKLANAALAD2
SCHEMBL14118034 0.83 FOLH1 (0.51) ALDH1A1MMP2MMP9MMP8MMP12
SCHEMBL22134382 0.83 LMNA (0.48) ALDH1A1MMP2MMP9MMP8MMP12
SCHEMBL21440847 0.81 NOD1 (0.36) ALDH1A1MMP2MMP9MMP8MMP12
SCHEMBL22026231 0.81 MMP2 (0.54) MMP2MMP9MMP8MMP12MMP14

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-2023108009-A1 COMPOUNDS SPECIFIC TO GRANZYME B AND USES THEREOF CYTOSITE BIOPHARMA INC. (US) 2023-06-15 — — WO disclosed
WO-2023108031-A1 PRODRUGS FOR COMPOUNDS SPECIFIC TO GRANZYME B AND USES THEREOF CYTOSITE BIOPHARMA INC. (US) 2023-06-15 — — WO disclosed
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