SCHEMBL9546617

SCHEMBL9546617

CC(C)C(NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N1CCC(CN(C)C(=O)OCc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 9/20 0.49
PSEN2 P49810 9/20 0.49
APH1B Q8WW43 9/20 0.49
NCSTN Q92542 9/20 0.49
APH1A Q96BI3 9/20 0.49
PSENEN Q9NZ42 9/20 0.49
APP P05067 1/20 0.49
REN P00797 4/20 0.47
KMT2A Q03164 1/20 0.46
KLK5 Q9Y337 2/20 0.46
MAPK1 P28482 1/20 0.44
CCR1 P32246 1/20 0.42

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
SCHEMBL9546611 1.00 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9546631 1.00 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9546603 1.00 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9546570 0.90 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9546584 0.90 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9546554 0.90 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9546577 0.90 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9546613 0.88 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9546622 0.88 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9546598 0.88 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A

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
WO-1993023373-A1 N-[N'-(5-AMINO-4-HYDROXY-ACYLOYL)-α-AMINOACYLOYL] SUBSTITUTED HETEROCYCLES AND THEIR USE AS ANTIVIRAL AGENTS PFIZER LIMITED (GB) 1993-11-25 WO disclosed