SCHEMBL7437488

SCHEMBL7437488

CC(C)CC(NC(=O)OC(C)(C)C)C(O)CSCCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.49
PSEN2 P49810 2/20 0.49
APH1B Q8WW43 2/20 0.49
NCSTN Q92542 2/20 0.49
APH1A Q96BI3 2/20 0.49
PSENEN Q9NZ42 2/20 0.49
BACE1 P56817 14/20 0.48
REN P00797 4/20 0.48
BACE2 Q9Y5Z0 1/20 0.46

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
SCHEMBL7437679 0.88 PPARG (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9697661 0.83 CTSS (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8146699 0.80 PPARA (0.69)
SCHEMBL7433466 0.80 BACE1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7425266 0.80 PPARA (0.56)
SCHEMBL7437492 0.79 REN (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10767995 0.78 REN (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7441770 0.77 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15316224 0.76 CTSK (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10722632 0.75 REN (0.59) BACE1REN

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
US-4826815-A HYPOTENSIVE ABBOTT LABORATORIES (US) 1989-05-02 US disclosed
US-4645759-A HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1987-02-24 US disclosed
EP-0172347-A2 Renin inhibiting compounds ABBOTT LABORATORIES (US) 1986-02-26 EP disclosed