SCHEMBL28925220

SCHEMBL28925220

NC(=O)O[C@@H](CC1CCOCC1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.47
▸ FOLH1 Q04609 2/20 0.47
▸ CTSL P07711 1/20 0.45
▸ CPB1 P15086 1/20 0.44
▸ CPB2 Q96IY4 1/20 0.44
▸ HTRA1 Q92743 2/20 0.44
▸ PTGER4 P35408 2/20 0.44
▸ DPP8 Q6V1X1 1/20 0.43
▸ DPP7 Q9UHL4 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ KLK7 P49862 1/20 0.42
▸ KLK5 Q9Y337 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
SCHEMBL28925221 1.00 SIRT2 (0.47) SIRT2FOLH1CTSLCPB1CPB2
SCHEMBL22117554 0.91 SIRT2 (0.49) SIRT2FOLH1CTSLCPB1CPB2
SCHEMBL22117555 0.91 SIRT2 (0.49) SIRT2FOLH1CTSLCPB1CPB2
SCHEMBL28652336 0.90 CTSL (0.45) SIRT2FOLH1CTSLCPB1CPB2
SCHEMBL28652331 0.90 CTSL (0.45) SIRT2FOLH1CTSLCPB1CPB2
SCHEMBL31679024 0.89 DPP8 (0.49) SIRT2FOLH1CTSLCPB1CPB2
SCHEMBL31679018 0.85 KMT2A (0.47) SIRT2CTSLHTRA1
SCHEMBL22117437 0.83 CTSL (0.50) SIRT2CTSLPTGER4
SCHEMBL22117438 0.83 CTSL (0.50) SIRT2CTSLPTGER4
SCHEMBL31679033 0.83 CTSL (0.48) CTSLPTGER4

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-113544138-A Mitochondrial targeting peptides 隐形生物治疗公司 2021-10-22 — — CN disclosed
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