SCHEMBL8892278

SCHEMBL8892278

COC(=O)CSCC(=O)OC(CC(Cc1ccccc1)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(=O)N1CCOCC1)C(C)C)C(Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.44
BACE1 P56817 6/20 0.42
PSEN1 P49768 5/20 0.40
PSEN2 P49810 5/20 0.40
APH1B Q8WW43 5/20 0.40
NCSTN Q92542 5/20 0.40
APH1A Q96BI3 5/20 0.40
PSENEN Q9NZ42 5/20 0.40
APP P05067 1/20 0.40
CTSD P07339 1/20 0.40
CASP3 P42574 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8893723 0.92 REN (0.44) RENBACE1PSEN1PSEN2APH1B
SCHEMBL8893662 0.89 REN (0.41) RENBACE1PSEN1PSEN2APH1B
SCHEMBL8893266 0.89 REN (0.42) RENBACE1PSEN1PSEN2APH1B
SCHEMBL8894905 0.88 REN (0.41) RENBACE1PSEN1PSEN2APH1B
SCHEMBL8893758 0.88 REN (0.41) RENBACE1PSEN1PSEN2APH1B
SCHEMBL8894487 0.88 REN (0.40) RENBACE1PSEN1PSEN2APH1B
SCHEMBL8893248 0.86 PSEN1 (0.54) RENBACE1PSEN1PSEN2APH1B
SCHEMBL1006593 0.86 PSEN1 (0.54) RENBACE1PSEN1PSEN2APH1B
SCHEMBL8896478 0.86 CASP3 (0.39) RENBACE1PSEN1PSEN2APH1B
SCHEMBL8893315 0.86 REN (0.39) RENBACE1PSEN1PSEN2APH1B

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
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP disclosed