SCHEMBL7947146

SCHEMBL7947146

CC(C)(C)OC(=O)N[C@@H](CCCCN(C[C@@H](O)CCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
KLK7 P49862 2/20 0.50
KLK5 Q9Y337 2/20 0.50
FOLH1 Q04609 4/20 0.49
CPB1 P15086 1/20 0.49
CPB2 Q96IY4 1/20 0.49
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
CTSK P43235 1/20 0.45
SYK P43405 1/20 0.45
PPARA Q07869 1/20 0.45

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
SCHEMBL6367781 0.95 KLK7 (0.52) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL6363676 0.95 KLK7 (0.52) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL6757854 0.90 MAPT (0.59) MAPTKLK7KLK5FOLH1CPB1
SCHEMBL7946189 0.85 KLK7 (0.60) MAPTKLK7KLK5FOLH1ITGB3
SCHEMBL7949794 0.83 CTSK (0.45) MAPTKLK7KLK5CTSKPPARA
SCHEMBL7944746 0.83 CTSK (0.45) MAPTKLK7KLK5CTSKPPARA
SCHEMBL2334326 0.83 MAPT (0.68) MAPTKLK7KLK5FOLH1CPB1
SCHEMBL2334319 0.83 MAPT (0.68) MAPTKLK7KLK5FOLH1CPB1
SCHEMBL3210903 0.83 MAPT (0.68) MAPTKLK7KLK5FOLH1CPB1
SCHEMBL7944789 0.83 SLC1A3 (0.56) FOLH1CPB1CPB2

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-6248866-B1 MULTISTEP PROCESS FOR PRODUCTION OF PROTECTED HYPUSINE STARTING FROM PROTECTED, ESTERIFIED LYSINE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2001-06-19 US disclosed