SCHEMBL12721099

SCHEMBL12721099

CC(=O)NCCCCC(NC(C)=O)C(=O)NC(CN1CCC(=O)C=CC1=O)CN1CCC(=O)C=CC1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 3/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ CA1 P00915 7/20 0.35
▸ CA2 P00918 7/20 0.35
▸ FOLH1 Q04609 2/20 0.34
▸ TGM2 P21980 2/20 0.33
▸ ALB P02768 3/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NAALAD2 Q9Y3Q0 1/20 0.31

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
SCHEMBL13401558 0.86 SIRT1 (0.33) SIRT5SIRT1CA1CA2
SCHEMBL13499241 0.76 SIRT5 (0.43) SIRT5SIRT6SIRT1CA1CA2
SCHEMBL12910864 0.74 SIRT5 (0.42) SIRT5SIRT6SIRT1CA1CA2
SCHEMBL13025173 0.74 SIRT5 (0.41) SIRT5SIRT6SIRT1CA1CA2
SCHEMBL4761500 0.73 SIRT6 (0.48) SIRT5SIRT6SIRT1CA1CA2
SCHEMBL12721098 0.68 SIRT6 (0.46) SIRT5SIRT6SIRT1CA1CA2
SCHEMBL16181039 0.67 TGM2 (0.48) SIRT5SIRT6SIRT1FOLH1TGM2
SCHEMBL13901992 0.67 SIRT6 (0.46) SIRT5SIRT6SIRT1CA1CA2
SCHEMBL25550095 0.67 FOLH1 (0.64) SIRT5SIRT6SIRT1FOLH1ALB
SCHEMBL14942518 0.67 FOLH1 (0.64) SIRT5SIRT6SIRT1FOLH1ALB

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-7927596-B2 Methods of antagonizing binding of CD40 to CD40L with CD40L-specific monovalent polypeptides DOMANTIS LIMITED (GB) 2011-04-19 — — US disclosed
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