SCHEMBL15445007

SCHEMBL15445007

COC(=O)NCCCCC(NC(=O)OC)C(=O)NCCNC(=O)CCN1C(=O)C=C(SC)C1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 12/20 0.38
▸ HDAC4 P56524 1/20 0.34
▸ MEF2D Q14814 1/20 0.34
▸ SIRT1 Q96EB6 10/20 0.33
▸ SIRT3 Q9NTG7 8/20 0.33
▸ TPSAB1 Q15661 2/20 0.32
▸ GLP1R P43220 3/20 0.32
▸ POLB P06746 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL15146939 0.95 SIRT2 (0.39) SIRT2HDAC4MEF2DSIRT1SIRT3
SCHEMBL15144370 0.90 SIRT2 (0.42) SIRT2HDAC4MEF2DSIRT1SIRT3
SCHEMBL11964062 0.85 AKT1 (0.42) SIRT2SIRT1SIRT3TPSAB1GLP1R
SCHEMBL14755924 0.83 AKT1 (0.41) SIRT2SIRT1SIRT3TPSAB1GLP1R
SCHEMBL11964063 0.80 SIRT2 (0.38) SIRT2SIRT1SIRT3TPSAB1GLP1R
SCHEMBL14864110 0.78 FOLH1 (0.38) SIRT2HDAC4SIRT1TPSAB1POLB
SCHEMBL18084214 0.77 AKT1 (0.42) SIRT2SIRT1SIRT3TPSAB1GLP1R
SCHEMBL17488484 0.77 AKT1 (0.40) SIRT2SIRT1SIRT3GLP1R
SCHEMBL14542727 0.77 AKT1 (0.36) SIRT2SIRT1POLBHSD17B10
SCHEMBL14864111 0.76 FOLH1 (0.37) SIRT2HDAC4TPSAB1POLBHSD17B10

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-8636994-B2 Polymer-based compositions and conjugates of antimicrobial agents NEKTAR THERAPEUTICS (US) 2014-01-28 — — US disclosed
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