SCHEMBL9875747

SCHEMBL9875747

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
KLK7 P49862 2/20 0.60
KLK5 Q9Y337 2/20 0.60
POLB P06746 1/20 0.58
MAPK1 P28482 1/20 0.58
ITGB3 P05106 1/20 0.57
ITGA2B P08514 1/20 0.57
PSMB8 P28062 1/20 0.54
PSMB9 P28065 1/20 0.54
PSMB5 P28074 1/20 0.54
PAX8 Q06710 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CTSS P25774 2/20 0.53
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
CTSK P43235 1/20 0.53
PTGER4 P35408 1/20 0.53
FOLH1 Q04609 1/20 0.52

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
SCHEMBL5302755 0.93 MAPT (0.59) MAPTKLK7KLK5POLBMAPK1
SCHEMBL8242070 0.93 MAPT (0.59) MAPTKLK7KLK5POLBMAPK1
SCHEMBL16869898 0.93 MAPT (0.59) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL29460426 0.92 KLK7 (0.61) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL2291347 0.92 KLK7 (0.60) MAPTKLK7KLK5POLBMAPK1
SCHEMBL26415874 0.92 KLK7 (0.60) MAPTKLK7KLK5POLBMAPK1
SCHEMBL28589406 0.92 KLK7 (0.60) MAPTKLK7KLK5POLBMAPK1
SCHEMBL9496190 0.91 KLK7 (0.61) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL16920618 0.91 KLK7 (0.59) MAPTKLK7KLK5POLBMAPK1
SCHEMBL19499042 0.91 KLK7 (0.59) MAPTKLK7KLK5POLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992562-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1991-02-12 US disclosed
US-4948913-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1990-08-14 US disclosed
US-4729985-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1988-03-08 US disclosed
EP-0212903-A2 Polypeptide derivatives containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1987-03-04 EP disclosed