SCHEMBL9533710

SCHEMBL9533710

CC(C)[C@H](NC(=O)OCc1ccc(CN(C)C)cc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 3/20 0.59
PSEN1 P49768 5/20 0.53
PSEN2 P49810 5/20 0.53
APH1B Q8WW43 5/20 0.53
NCSTN Q92542 5/20 0.53
APH1A Q96BI3 5/20 0.53
PSENEN Q9NZ42 5/20 0.53
KLK5 Q9Y337 1/20 0.53
PSMB11 A5LHX3 2/20 0.48
PSMA7 O14818 2/20 0.48
PSMB1 P20618 2/20 0.48
PSMA1 P25786 2/20 0.48
PSMA2 P25787 2/20 0.48
PSMA3 P25788 2/20 0.48
PSMA4 P25789 2/20 0.48
PSMB8 P28062 2/20 0.48
PSMB9 P28065 2/20 0.48
PSMA5 P28066 2/20 0.48
PSMB4 P28070 2/20 0.48
PSMB6 P28072 2/20 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
SCHEMBL7443260 1.00 CTSD (0.59) CTSDPSEN1PSEN2APH1BNCSTN
SCHEMBL6449655 0.94 CTSD (0.66) CTSDPSEN1PSEN2APH1BNCSTN
SCHEMBL15095216 0.93 CTSD (0.67) CTSDPSEN1PSEN2APH1BNCSTN
SCHEMBL9237787 0.92 CTSD (0.58) CTSDPSEN1PSEN2APH1BNCSTN
SCHEMBL9237792 0.92 CTSD (0.58) CTSDPSEN1PSEN2APH1BNCSTN
SCHEMBL6447745 0.92 CTSD (0.66) CTSDPSEN1PSEN2APH1BNCSTN
SCHEMBL7270278 0.91 CTSD (0.67) CTSDPSEN1PSEN2APH1BNCSTN
SCHEMBL7430958 0.88 BACE1 (0.61) CTSDKLK5BACE1
SCHEMBL8531207 0.87 KLK5 (0.61) CTSDPSEN1PSEN2APH1BNCSTN
SCHEMBL8532173 0.87 KLK5 (0.61) CTSDPSEN1PSEN2APH1BNCSTN

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
EP-0532693-A1 1,4-DIAMINO-2,3-DIHYDROXYBUTANES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-24 EP claimed