SCHEMBL11013340

SCHEMBL11013340

CC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O.C[C@@H](NC(=O)[C@@H](C)NC(=O)CN)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.48
▸ SIRT1 Q96EB6 1/20 0.48
▸ FURIN P09958 8/20 0.46
▸ CPA1 P15085 1/20 0.44
▸ CPA2 P48052 1/20 0.44
▸ CPA4 Q9UI42 1/20 0.44
▸ SLC15A2 Q16348 1/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ GNPAT O15228 1/20 0.40
▸ TLR2 O60603 1/20 0.40

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
SCHEMBL30598012 0.93 SIRT6 (0.53) SIRT6SIRT1FURINCPA1CPA2
SCHEMBL10609149 0.93 SIRT6 (0.53) SIRT6SIRT1FURINCPA1CPA2
SCHEMBL29564895 0.91 SLC15A2 (0.49) SIRT6SIRT1FURINSLC15A2
SCHEMBL29394605 0.91 SIRT6 (0.56) SIRT6SIRT1FURINCPA1CPA2
SCHEMBL29396101 0.89 SIRT6 (0.55) SIRT6SIRT1FURINCPA1CPA2
SCHEMBL29380200 0.89 SLC15A2 (0.49) SIRT6SIRT1FURINCPA1CPA2
SCHEMBL29565229 0.88 SLC15A2 (0.51) SIRT6SIRT1FURINCPA1CPA2
SCHEMBL14669744 0.87 NMT2 (0.50) SIRT6SIRT1FURINCPA1CPA2
SCHEMBL29398096 0.87 GNPAT (0.53) SIRT6SIRT1FURINCPA1CPA2
D-Alanine SCHEMBL5702807 0.87 SIRT6 (0.52) SIRT6SIRT1FURINCPA1CPA2

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-0132117-A2 A process for the preparation of purified vancomycin class antibiotics SMITHKLINE BECKMAN CORPORATION (US) 1985-01-23 — — EP disclosed
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