SCHEMBL9831068

SCHEMBL9831068

CC(C)CCNC(=O)C(CC(O)C(CC(C)C)NC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.49
APP P05067 1/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47

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
SCHEMBL9832598 0.80 BACE1 (0.45) BACE1APPPSEN1PSEN2APH1B
SCHEMBL9832591 0.78 BACE1 (0.47) BACE1APPPSEN1PSEN2APH1B
SCHEMBL9833829 0.77 LAP3 (0.55)
SCHEMBL10188332 0.76 CTSK (0.51) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL9697661 0.76 CTSS (0.54) BACE1APPPSEN1PSEN2APH1B
SCHEMBL7441770 0.74 PSEN1 (0.49) BACE1APPPSEN1PSEN2APH1B
SCHEMBL10722673 0.74 CTSK (0.46) BACE1APPPSEN1PSEN2APH1B
SCHEMBL7429081 0.74 REN (0.49) BACE1APPPSEN1PSEN2APH1B
SCHEMBL9833654 0.73 REN (0.42)
SCHEMBL10727796 0.73 CA1 (0.55) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0206523-B1 HETEROCYCLIC COMPOUNDS AS FUNGICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-04 EP claimed
EP-0258289-A4 PEPTIDE ANALOGS 1991-01-02 EP disclosed
US-4857507-A HYPOTENSIVE AGENT ABBOTT LABORATORIES (US) 1989-08-15 US disclosed
EP-0258289-A1 PEPTIDE ANALOGS ABBOTT LABORATORIES (US) 1988-03-09 EP disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 WO disclosed