SCHEMBL8892199

SCHEMBL8892199

CC(C)C(NC(=O)C(Cc1ccc(F)cc1F)CC(O[Si](C)(C)C(C)(C)C)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(=O)N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.37
BACE1 P56817 9/20 0.37
CASP3 P42574 1/20 0.36
CTSD P07339 1/20 0.36
PSEN1 P49768 3/20 0.36
PSEN2 P49810 3/20 0.36
APH1B Q8WW43 3/20 0.36
NCSTN Q92542 3/20 0.36
APH1A Q96BI3 3/20 0.36
PSENEN Q9NZ42 3/20 0.36
APP P05067 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSL P07711 1/20 0.35

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
SCHEMBL8908391 0.94 REN (0.37) RENBACE1CASP3CTSDPSEN1
SCHEMBL8892626 0.94 REN (0.39) RENBACE1CASP3CTSDPSEN1
SCHEMBL7435623 0.93 PSEN1 (0.40) RENBACE1CASP3CTSDPSEN1
SCHEMBL7442606 0.93 PSEN1 (0.40) RENBACE1CASP3CTSDPSEN1
SCHEMBL8892921 0.92 CTSS (0.41) RENBACE1CASP3CTSDPSEN1
SCHEMBL9397295 0.90 PSEN1 (0.46) RENBACE1PSEN1PSEN2APH1B
SCHEMBL8893984 0.90 REN (0.39) RENBACE1CASP3CTSDPSEN1
SCHEMBL8892080 0.90 PSEN1 (0.38) RENBACE1CASP3CTSDPSEN1
SCHEMBL8892084 0.90 PSEN1 (0.38) RENBACE1CASP3CTSDPSEN1
SCHEMBL8892829 0.88 PSEN1 (0.39) RENBACE1CASP3CTSDPSEN1

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