SCHEMBL10656550

SCHEMBL10656550

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

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.62
KLK7 P49862 2/20 0.53
KLK5 Q9Y337 2/20 0.53
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
FOLH1 Q04609 4/20 0.51
DPP8 Q6V1X1 1/20 0.49
DPP7 Q9UHL4 1/20 0.49
HTT P42858 1/20 0.49
SYK P43405 1/20 0.48
ABCB1 P08183 1/20 0.48
ANPEP P15144 1/20 0.48

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
SCHEMBL10659094 1.00 MAPT (0.62) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL11021538 0.92 MAPT (0.60) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL10661677 0.92 MAPT (0.60) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL1022850 0.86 MAPT (0.66) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL29458730 0.85 MAPT (0.63) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL16789691 0.83 MAPT (0.63) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL1024150 0.83 MAPT (0.62) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL16279057 0.83 MAPT (0.62) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL29458707 0.82 MAPT (0.62) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL24845246 0.82 MAPT (0.70) MAPTKLK7KLK5ITGB3ITGA2B

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
US-4746649-A Diamino acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1988-05-24 US disclosed
EP-0161588-A2 Diamino acid derivatives MERCK PATENT GmbH (DE) 1985-11-21 EP disclosed