SCHEMBL7944746

SCHEMBL7944746

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.45
KLK7 P49862 1/20 0.44
KLK5 Q9Y337 1/20 0.44
MAPT P10636 1/20 0.43
PPARA Q07869 1/20 0.43
CCR6 P51684 1/20 0.41
PAX8 Q06710 1/20 0.41

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
SCHEMBL7949794 1.00 CTSK (0.45) CTSKKLK7KLK5MAPTPPARA
SCHEMBL7947148 0.89 CTSS (0.47) CTSKKLK7KLK5
SCHEMBL6367781 0.89 KLK7 (0.52) CTSKKLK7KLK5MAPT
SCHEMBL6363676 0.89 KLK7 (0.52) CTSKKLK7KLK5MAPT
SCHEMBL7946189 0.84 KLK7 (0.60) KLK7KLK5MAPTPAX8
SCHEMBL7947146 0.83 MAPT (0.51) CTSKKLK7KLK5MAPTPPARA
SCHEMBL6757854 0.78 MAPT (0.59) KLK7KLK5MAPT
SCHEMBL8893121 0.78 PPARA (0.54) CTSKPPARA
SCHEMBL8893110 0.78 PPARA (0.54) CTSKPPARA
SCHEMBL7662421 0.78 CTSK (0.46) CTSKPPARA

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