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SCHEMBL17073798

SCHEMBL17073798

Cc1cc(C)c(C[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@H](CCCN/C(=N\C(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(N)=O)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.52
▸ SIRT2 Q8IXJ6 3/20 0.46
▸ PTGER4 P35408 4/20 0.45
▸ SIRT1 Q96EB6 2/20 0.43
▸ CPB1 P15086 1/20 0.42
▸ CPB2 Q96IY4 1/20 0.42
▸ SIRT3 Q9NTG7 1/20 0.42
▸ SIRT5 Q9NXA8 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
SCHEMBL17073813 0.96 CTSL (0.52) CTSLSIRT2PTGER4SIRT1SIRT3
SCHEMBL16869914 0.94 CTSL (0.50) CTSLSIRT2PTGER4SIRT1SIRT3
SCHEMBL21627095 0.94 CTSL (0.50) CTSLSIRT2PTGER4SIRT1SIRT3
SCHEMBL21627094 0.94 CTSL (0.50) CTSLSIRT2PTGER4SIRT1SIRT3
SCHEMBL21627021 0.92 CTSL (0.48) CTSLSIRT2PTGER4SIRT1
SCHEMBL16869960 0.92 CTSL (0.48) CTSLSIRT2PTGER4SIRT1
SCHEMBL18659612 0.91 SIRT2 (0.48) CTSLSIRT2PTGER4SIRT1SIRT3
SCHEMBL18659588 0.90 CTSL (0.47) CTSLSIRT2PTGER4SIRT1SIRT5
SCHEMBL21627097 0.89 CTSL (0.45) CTSLSIRT2PTGER4SIRT1SIRT5
SCHEMBL16870074 0.89 CTSL (0.45) CTSLSIRT2PTGER4SIRT1SIRT5

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
WO-2015134096-A1 PHARMACEUTICALLY RELEVANT AROMATIC-CATIONIC PEPTIDES STEALTH PEPTIDES INTERNATIONAL, INC. (MC) 2015-09-11 — — WO disclosed
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