SCHEMBL7401797

SCHEMBL7401797

COC(=O)C1CCCCN1C(=O)[C@H](C)NC(=O)Cc1cc(F)cc(F)c1.COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)Cc1cc(F)cc(F)c1.COC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](C)NC(=O)Cc1cc(F)cc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 5/20 0.41
▸ PSEN2 P49810 5/20 0.41
▸ APH1B Q8WW43 5/20 0.41
▸ NCSTN Q92542 5/20 0.41
▸ APH1A Q96BI3 5/20 0.41
▸ PSENEN Q9NZ42 5/20 0.41
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ REN P00797 1/20 0.39
▸ ACE P12821 2/20 0.38
▸ XIAP P98170 5/20 0.38
▸ CTSD P07339 1/20 0.37
▸ CTSE P14091 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ KLK5 Q9Y337 1/20 0.37
▸ FAP Q12884 1/20 0.37
▸ SMYD3 Q9H7B4 1/20 0.37
▸ GSAP A4D1B5 1/20 0.37
▸ BIRC3 Q13489 1/20 0.36
▸ BIRC2 Q13490 1/20 0.36

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
SCHEMBL7401956 0.85 SMYD3 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5967382 0.84 SMYD3 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5967034 0.83 SMYD3 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5966867 0.83 ALDH1A1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5967052 0.74 ALDH1A1 (0.57) ATMREN
SCHEMBL7366981 0.74 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27563567 0.74 ALDH1A1 (0.57) ATMREN
SCHEMBL5967001 0.73 TSHR (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5966980 0.73 NLRP3 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7367655 0.73 PSEN1 (0.48) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0942924-A2 METHODS AND COMPOUNDS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-22 — — EP claimed
WO-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS — 1998-08-20 — — WO claimed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 — — WO claimed
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