SCHEMBL17787396

SCHEMBL17787396

CC(=O)N[C@@H](CO)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](C)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NMT2 O60551 1/20 0.52
▸ NMT1 P30419 1/20 0.52
▸ SIRT6 Q8N6T7 1/20 0.50
▸ SIRT1 Q96EB6 1/20 0.50
▸ FURIN P09958 9/20 0.48
▸ TLR2 O60603 1/20 0.45
▸ SIRT5 Q9NXA8 2/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42

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
SCHEMBL12035292 0.89 FURIN (0.52) NMT2NMT1SIRT6SIRT1FURIN
SCHEMBL20952056 0.89 SIRT6 (0.51) NMT2NMT1SIRT6SIRT1FURIN
SCHEMBL20952057 0.89 SIRT6 (0.51) NMT2NMT1SIRT6SIRT1FURIN
SCHEMBL22640914 0.87 GRIN2D (0.46) NMT2NMT1SIRT6SIRT1FURIN
SCHEMBL16234720 0.87 SIRT5 (0.58) NMT2NMT1SIRT6SIRT1FURIN
SCHEMBL14669744 0.87 NMT2 (0.50) NMT2NMT1SIRT6SIRT1FURIN
SCHEMBL16234721 0.87 SIRT5 (0.46) NMT2NMT1SIRT6SIRT1FURIN
SCHEMBL16259323 0.87 NMT2 (0.53) NMT2NMT1SIRT6SIRT1FURIN
SCHEMBL16259340 0.87 NMT2 (0.53) NMT2NMT1SIRT6SIRT1FURIN
SCHEMBL16234712 0.87 NMT2 (0.53) NMT2NMT1SIRT6SIRT1FURIN

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-9353149-B2 Compounds, compositions and methods for the treatment of diseases through inhibiting TGF-β activity SOUTHERN RESEARCH INSTITUTE (US) 2016-05-31 — — US disclosed
Send feedback