SCHEMBL22497880

SCHEMBL22497880

CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 1.00
PSEN2 P49810 20/20 1.00
APH1B Q8WW43 20/20 1.00
NCSTN Q92542 20/20 1.00
APH1A Q96BI3 20/20 1.00
PSENEN Q9NZ42 20/20 1.00
SPPL2A Q8TCT8 1/20 0.71

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
SCHEMBL5620072 0.85 PSEN1 (0.76) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5620445 0.85 PSEN1 (0.76) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5620341 0.85 PSEN1 (0.76) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13749875 0.83 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12525071 0.83 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23855805 0.83 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30957093 0.83 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20495533 0.83 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL33171 0.83 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29358197 0.83 PSEN1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020201267-A1 IDENTIFICATION OF PAN-GAMMA SECRETASE INHIBITOR (PAN-GSI) THERANOSTIC RESPONSE SIGNATURES FOR CANCERS Københavns Universitet (DK) 2020-10-08 WO claimed
WO-2020201267-A1 IDENTIFICATION OF PAN-GAMMA SECRETASE INHIBITOR (PAN-GSI) THERANOSTIC RESPONSE SIGNATURES FOR CANCERS Københavns Universitet (DK) 2020-10-08 WO disclosed