SCHEMBL29051005

SCHEMBL29051005

CCOC(=O)CC[C@H](C(=O)OCC)N(C(=O)OC(C)(C)C)C(=O)[C@@H](Cc1ccccc1)NC(=O)CN

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.41
▸ KLK5 Q9Y337 1/20 0.39
▸ NOD2 Q9HC29 1/20 0.39
▸ F10 P00742 1/20 0.38
▸ ITGA4 P13612 1/20 0.38
▸ ITGB7 P26010 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CTSS P25774 2/20 0.37
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ REN P00797 1/20 0.36
▸ HPRT1 P00492 1/20 0.36

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
SCHEMBL29050979 0.81 L3MBTL1 (0.39) L3MBTL1KMT2ACTSK
SCHEMBL29051017 0.80 L3MBTL1 (0.38) L3MBTL1KMT2ACTSK
SCHEMBL28620363 0.77 AKT1 (0.47) ACEKLK5ITGA4ITGB7MEN1
SCHEMBL9317429 0.77 TPSAB1 (0.48) KLK5CTSSCTSLCTSBCTSK
SCHEMBL28555237 0.74 ACE (0.40) ACECTSSCTSLCTSBCTSK
SCHEMBL10791801 0.74 MAPT (0.57) ACEKLK5ITGA4ITGB7MEN1
SCHEMBL27140801 0.74 MAPT (0.57) ACEKLK5ITGA4ITGB7MEN1
SCHEMBL11155440 0.74 TP53 (0.59) TP53MEN1ALDH1A1LMNAKMT2A
SCHEMBL11022951 0.74 TP53 (0.59) TP53MEN1ALDH1A1LMNAKMT2A
SCHEMBL15406173 0.74 L3MBTL1 (0.42) L3MBTL1ALDH1A1KMT2ACTSK

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
CN-116600830-A Conjugated TLR7 and NOD2 agonists 卢布尔雅那大学 2023-08-15 — — CN disclosed
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