SCHEMBL31294223

SCHEMBL31294223

CCOC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.54
▸ KLK7 P49862 2/20 0.53
▸ KLK5 Q9Y337 2/20 0.53
▸ ITGB3 P05106 1/20 0.49
▸ ITGA2B P08514 1/20 0.49
▸ CTSK P43235 1/20 0.49
▸ SYK P43405 1/20 0.48
▸ SIRT2 Q8IXJ6 1/20 0.47
▸ SIRT1 Q96EB6 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ FOLH1 Q04609 1/20 0.46

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
SCHEMBL18942686 0.88 KLK7 (0.65) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL22961931 0.85 PAX8 (0.53) MAPTKLK7KLK5CTSK
SCHEMBL8955505 0.84 KLK7 (0.64) MAPTKLK7KLK5ITGB3ITGA2B
Hydrochloric Acid SCHEMBL31294603 0.84 SIRT2 (0.49) MAPTKLK7KLK5SIRT2SIRT1
SCHEMBL31294354 0.84 MMP2 (0.45) MAPTKLK7KLK5CTSKSIRT2
SCHEMBL5303739 0.83 MAPT (0.54) MAPTKLK7KLK5CTSKSYK
SCHEMBL8242759 0.83 MAPT (0.54) MAPTKLK7KLK5CTSKSYK
SCHEMBL14014416 0.83 KLK7 (0.63) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL13120843 0.83 KLK7 (0.63) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL1374913 0.82 MAPT (0.64) MAPTKLK7KLK5ITGB3ITGA2B

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-2025224463-A1 DESMURAMYLPEPTIDE ANALOGUE MONOESTER Imhotex Limited (GB) 2025-10-30 — — WO disclosed
WO-2024224089-A1 DESMURAMYLPEPTIDE MONOESTERS AS NOD2 AGONISTS AND USE THEREOF Imhotex Limited (GB) 2024-10-31 — — WO disclosed
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