SCHEMBL7946189

SCHEMBL7946189

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.60
KLK5 Q9Y337 2/20 0.60
MAPT P10636 2/20 0.59
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
ABCB1 P08183 1/20 0.52
FOLH1 Q04609 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PAX8 Q06710 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL6757854 0.94 MAPT (0.59) KLK7KLK5MAPTITGB3ITGA2B
SCHEMBL17309872 0.91 MAPT (0.68) KLK7KLK5MAPTITGB3ITGA2B
SCHEMBL1303931 0.91 MAPT (0.68) KLK7KLK5MAPTITGB3ITGA2B
SCHEMBL6367781 0.90 KLK7 (0.52) KLK7KLK5MAPTITGB3ITGA2B
SCHEMBL6363676 0.90 KLK7 (0.52) KLK7KLK5MAPTITGB3ITGA2B
SCHEMBL10873871 0.88 KLK7 (0.67) KLK7KLK5MAPTITGB3ITGA2B
SCHEMBL8955505 0.88 KLK7 (0.64) KLK7KLK5MAPTITGB3ITGA2B
SCHEMBL19732512 0.87 CCR6 (0.59) KLK7KLK5MAPTFOLH1PAX8
SCHEMBL2329143 0.86 KLK7 (0.67) KLK7KLK5MAPTITGB3ITGA2B
SCHEMBL2329138 0.86 KLK7 (0.67) KLK7KLK5MAPTITGB3ITGA2B

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-6258931-B1 SYNTHESIZING DEOXYHYPUSINE DERIVATIVE BY USING ESTER OF DIPROTECTED LYSINE, DEBLOCKING ONE NITROGEN, CONDENSING WITH 3-CYANOPROPANAL, REDUCING TO A TRIAMINE, PROTECTING FREE AMINO GROUPS, DEBLOCKING AGAIN, AND ACYLATING THE FREE AMINO GROUP UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2001-07-10 US disclosed