SCHEMBL4314216

SCHEMBL4314216

CC(=O)N[C@@H](CCCCN)C(=O)OC(=O)[C@H](CCCNC(=N)N)NC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.52
▸ SIRT1 Q96EB6 1/20 0.52
▸ TLR2 O60603 2/20 0.41
▸ PAOX Q6QHF9 2/20 0.41
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ ITGB3 P05106 3/20 0.38
▸ ITGA2B P08514 3/20 0.38
▸ SIRT5 Q9NXA8 1/20 0.37
▸ NPY4R P50391 5/20 0.37
▸ NPY1R P25929 3/20 0.37
▸ ALB P02768 1/20 0.36
▸ GNAI3 P08754 1/20 0.35
▸ GNAO1 P09471 1/20 0.35
▸ GNAI1 P63096 1/20 0.35
▸ GRIA1 P42261 1/20 0.35
▸ NPY2R P49146 2/20 0.35
▸ NPY5R Q15761 2/20 0.35

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
SCHEMBL28406173 0.88 SIRT6 (0.40) SIRT6SIRT1SIRT5NPY4RNPY1R
SCHEMBL4314204 0.86 SIRT6 (0.54) SIRT6SIRT1TLR2PAOXCA1
SCHEMBL4314210 0.86 SIRT6 (0.54) SIRT6SIRT1TLR2PAOXCA1
SCHEMBL2390736 0.85 NPY4R (0.44) SIRT6SIRT1CA1CA2SIRT5
SCHEMBL5807981 0.85 NPY4R (0.44) SIRT6SIRT1CA1CA2SIRT5
Hydrochloric Acid SCHEMBL11506342 0.83 NPY4R (0.44) SIRT6SIRT1CA1CA2SIRT5
SCHEMBL29626768 0.83 SIRT6 (0.57) SIRT6SIRT1TLR2CA1CA2
SCHEMBL31024641 0.83 SIRT6 (0.57) SIRT6SIRT1TLR2CA1CA2
SCHEMBL5812133 0.82 SIRT6 (0.43) SIRT6SIRT1SIRT5NPY4RNPY1R
SCHEMBL5812127 0.82 SIRT6 (0.43) SIRT6SIRT1SIRT5NPY4RNPY1R

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
EP-1570840-B1 Topical composition comprising n-acetylamino acids YU RUEY J (US) 2009-04-01 — — EP disclosed
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