SCHEMBL14385293

SCHEMBL14385293

N=C(N)NCCC[C@@H]1NC[C@@H](C(=O)O)NC1=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 3/20 0.38
SIRT2 Q8IXJ6 6/20 0.36
SIRT1 Q96EB6 6/20 0.36
SIRT3 Q9NTG7 6/20 0.36
ITGB3 P05106 7/20 0.35
ITGA2B P08514 7/20 0.35
FURIN P09958 1/20 0.32
SIRT5 Q9NXA8 3/20 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
SCHEMBL186302 1.00 TPSAB1 (0.38) TPSAB1SIRT2SIRT1SIRT3ITGB3
SCHEMBL14385292 1.00 TPSAB1 (0.38) TPSAB1SIRT2SIRT1SIRT3ITGB3
SCHEMBL2735620 1.00 TPSAB1 (0.38) TPSAB1SIRT2SIRT1SIRT3ITGB3
SCHEMBL10186970 1.00 TPSAB1 (0.38) TPSAB1SIRT2SIRT1SIRT3ITGB3
SCHEMBL2735621 1.00 TPSAB1 (0.38) TPSAB1SIRT2SIRT1SIRT3ITGB3
SCHEMBL14394101 0.91 SIRT2 (0.43) TPSAB1SIRT2SIRT1SIRT3SIRT5
SCHEMBL12235966 0.89 SIRT2 (0.40) TPSAB1SIRT2SIRT1SIRT3ITGB3
SCHEMBL10186972 0.89 SIRT2 (0.40) TPSAB1SIRT2SIRT1SIRT3ITGB3
SCHEMBL12235967 0.89 SIRT2 (0.40) TPSAB1SIRT2SIRT1SIRT3ITGB3
SCHEMBL2735622 0.86 TPSAB1 (0.30) TPSAB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007115164-A9 AMINO ACID SURROGATES FOR PEPTIDIC CONSTRUCTS PALATIN TECHNOLOGIES INC (US) 2007-11-29 WO disclosed
WO-2007115164-A2 AMINO ACID SURROGATES FOR PEPTIDIC CONSTRUCTS PALATIN TECHNOLOGIES, INC. (US) 2007-10-11 WO disclosed