SCHEMBL11569823

SCHEMBL11569823

CC(C)CC(NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)OCc1ccccc1)C(C)C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.52
PSEN1 P49768 3/20 0.51
PSEN2 P49810 3/20 0.51
APH1B Q8WW43 3/20 0.51
NCSTN Q92542 3/20 0.51
APH1A Q96BI3 3/20 0.51
PSENEN Q9NZ42 3/20 0.51
BACE2 Q9Y5Z0 1/20 0.50

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
SCHEMBL11568495 1.00 BACE1 (0.52) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL11567669 0.92 CTSK (0.53) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL10877170 0.88 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29787684 0.86 PPARA (0.52)
SCHEMBL11505366 0.85 PPARA (0.68)
SCHEMBL24049735 0.85 CTSK (0.57) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL11566964 0.85 CTSK (0.57) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL31107818 0.84 CTSK (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8530799 0.84 REN (0.62) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL5663757 0.83 CTSS (0.58) BACE1PSEN1PSEN2APH1BNCSTN

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-4146614-A TREATMENT OF SCHIZOPHRENIA STATE OF MICHIGAN (US) 1979-03-27 US disclosed