SCHEMBL9125697

SCHEMBL9125697

CC(=O)NCC(=O)NC([C]=O)CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 13/20 0.41
ALDH1A1 P00352 1/20 0.38
F2 P00734 1/20 0.35
MMP1 P03956 1/20 0.33
PSMB11 A5LHX3 5/20 0.32
PSMA7 O14818 5/20 0.32
PSMB1 P20618 5/20 0.32
PSMA1 P25786 5/20 0.32
PSMA2 P25787 5/20 0.32
PSMA3 P25788 5/20 0.32
PSMA4 P25789 5/20 0.32
PSMB8 P28062 5/20 0.32
PSMB9 P28065 5/20 0.32
PSMA5 P28066 5/20 0.32
PSMB4 P28070 5/20 0.32
PSMB6 P28072 5/20 0.32
PSMB10 P40306 5/20 0.32
PSMB3 P49720 5/20 0.32
PSMB2 P49721 5/20 0.32
PSMA6 P60900 5/20 0.32

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
SCHEMBL9125703 1.00 PSMB5 (0.41) PSMB5ALDH1A1F2MMP1PSMB11
SCHEMBL11761746 0.83 PSMB5 (0.42) PSMB5PSMB11PSMA7PSMB1PSMA1
SCHEMBL1006669 0.81 ALDH1A1 (0.50) ALDH1A1MMP1NFKB1MAPT
SCHEMBL1006670 0.81 ALDH1A1 (0.50) ALDH1A1MMP1NFKB1MAPT
SCHEMBL10582214 0.81 SLC7A5 (0.38) PSMB5
SCHEMBL5662013 0.81 PSMB5 (0.37) PSMB5
SCHEMBL5662018 0.81 PSMB5 (0.37) PSMB5
SCHEMBL8186529 0.81 KDM4E (0.36) F2NFKB1MAPT
SCHEMBL8186521 0.81 KDM4E (0.36) F2NFKB1MAPT
SCHEMBL11136853 0.78 PSMB5 (0.41) PSMB5ALDH1A1MAPT

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-5432263-A Process for producing peptides with side chains containing imidazolinylamino, tetrahydropyrimidinylamino, or alkylguanidinyl groups ABBOTT LABORATORIES (US) 1995-07-11 US disclosed