SCHEMBL30120772

SCHEMBL30120772

CC(C)(C)OC(=O)N[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)NC(C)(C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 12/20 0.49
▸ NMBR P28336 1/20 0.47
▸ CTSS P25774 3/20 0.44
▸ CTSK P43235 2/20 0.44
▸ CTSL P07711 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ AKT1 P31749 1/20 0.43
▸ KLK7 P49862 1/20 0.42

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
SCHEMBL29040245 1.00 SIRT2 (0.49) SIRT2NMBRCTSSCTSKCTSL
SCHEMBL18367552 1.00 SIRT2 (0.49) SIRT2NMBRCTSSCTSKCTSL
SCHEMBL30786611 0.94 SIRT2 (0.49) SIRT2NMBRCTSSCTSKCTSL
SCHEMBL30786614 0.94 SIRT2 (0.49) SIRT2NMBRCTSSCTSKCTSL
SCHEMBL18367551 0.90 SIRT2 (0.48) SIRT2NMBRCTSSCTSKCTSL
SCHEMBL5349888 0.89 SIRT2 (0.53) SIRT2NMBR
SCHEMBL29401183 0.89 SIRT2 (0.53) SIRT2NMBR
SCHEMBL9959535 0.89 SIRT2 (0.53) SIRT2NMBR
SCHEMBL30053690 0.88 NMBR (0.49) SIRT2NMBRCTSSCTSKCTSL
SCHEMBL29427176 0.88 NMBR (0.51) SIRT2NMBRCTSSCTSKCTSL

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
CN-115494169-B Separation and detection method for Boc-His (Trt) -Aib-OH and isomer thereof 成都普康生物科技有限公司 2023-11-14 — — CN disclosed
CN-115494169-A Separation and detection method of Boc-His (Trt) -Aib-OH and isomers thereof 成都普康生物科技有限公司 2022-12-20 — — CN disclosed
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