SCHEMBL11153191

SCHEMBL11153191

C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 12/20 0.49
SIRT1 Q96EB6 11/20 0.49
SIRT3 Q9NTG7 3/20 0.49
SIRT5 Q9NXA8 3/20 0.49
SSTR3 P32745 1/20 0.47
TGM2 P21980 1/20 0.46
MMP3 P08254 1/20 0.44

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
Hydrochloric Acid SCHEMBL10946482 0.91 SIRT2 (0.49) SIRT2SIRT1SIRT3SIRT5SSTR3
Hydrochloric Acid SCHEMBL10960457 0.91 SIRT2 (0.49) SIRT2SIRT1SIRT3SIRT5SSTR3
SCHEMBL17289476 0.84 SIRT5 (0.55) SIRT2SIRT1SIRT3SIRT5SSTR3
SCHEMBL2268022 0.84 SIRT5 (0.57) SIRT2SIRT1SIRT3SIRT5SSTR3
Hydrochloric Acid SCHEMBL10943848 0.83 SIRT5 (0.56) SIRT2SIRT1SIRT3SIRT5SSTR3
Hydrochloric Acid SCHEMBL10884941 0.83 SIRT5 (0.56) SIRT2SIRT1SIRT3SIRT5SSTR3
SCHEMBL10961448 0.83 PDF (0.50) SSTR3
SCHEMBL14415403 0.83 SIRT2 (0.50) SIRT2SIRT1SIRT3SIRT5TGM2
SCHEMBL14310727 0.83 SIRT2 (0.50) SIRT2SIRT1SIRT3SIRT5TGM2
SCHEMBL2193250 0.82 SSTR3 (0.57) SIRT2SIRT1SIRT3SIRT5SSTR3

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
US-4406832-A Peptide-type substrates useful in the quantitative determination of endotoxin MALLINCKRODT, INC. (US) 1983-09-27 US disclosed