SCHEMBL27508176

SCHEMBL27508176

CC(=O)OC1Cc2ccccc2CN1C(=O)[C@H](C)NC(=O)Cc1cc(F)cc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 11/20 0.45
▸ PSEN2 P49810 11/20 0.45
▸ APH1B Q8WW43 11/20 0.45
▸ NCSTN Q92542 11/20 0.45
▸ APH1A Q96BI3 11/20 0.45
▸ PSENEN Q9NZ42 11/20 0.45
▸ SMYD3 Q9H7B4 1/20 0.41
▸ ACE P12821 5/20 0.38
▸ GSAP A4D1B5 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL5967019 0.84 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27539704 0.81 ACE (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
Propionic Acid SCHEMBL27539705 0.80 ACE (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5967239 0.70 SMYD3 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5966934 0.69 XIAP (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6303318 0.69 XIAP (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5967034 0.68 SMYD3 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5967382 0.67 SMYD3 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5967234 0.67 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4992626 0.67 PSEN1 (0.59) 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
CN-1238779-A Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis ELAN PHARM INC (US) 1999-12-15 — — CN disclosed
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