SCHEMBL9546539

SCHEMBL9546539

CC(C)[C@H](NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N1CCC(NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.51
PSEN2 P49810 4/20 0.51
APH1B Q8WW43 4/20 0.51
NCSTN Q92542 4/20 0.51
APH1A Q96BI3 4/20 0.51
PSENEN Q9NZ42 4/20 0.51
APP P05067 1/20 0.51
KMT2A Q03164 2/20 0.49
KLK5 Q9Y337 2/20 0.49
REN P00797 3/20 0.48
CCR1 P32246 1/20 0.47
MAPK1 P28482 1/20 0.46
CMA1 P23946 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
BACE1 P56817 2/20 0.43

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
SCHEMBL9546553 1.00 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9546533 1.00 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9546544 1.00 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9546614 0.90 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9546639 0.90 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9546633 0.90 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9546623 0.90 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9546668 0.89 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9546692 0.89 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9546678 0.89 PSEN1 (0.53) 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