SCHEMBL8895445

SCHEMBL8895445

CCOC(=O)NC(Cc1ccccc1)C(O)CC(Cc1ccccc1)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(=O)N1CCOCC1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.47
CTSL P07711 1/20 0.47
BACE1 P56817 6/20 0.43
CTSS P25774 2/20 0.43
APP P05067 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
HLA-DRB1 P01911 1/20 0.42
CTSD P07339 1/20 0.42
REN P00797 1/20 0.41
PSMB11 A5LHX3 1/20 0.40
PSMA7 O14818 1/20 0.40
PSMB1 P20618 1/20 0.40
PSMA1 P25786 1/20 0.40
PSMA2 P25787 1/20 0.40
PSMA3 P25788 1/20 0.40

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
SCHEMBL1006593 0.90 PSEN1 (0.54) BACE1APPPSEN1PSEN2APH1B
SCHEMBL8893248 0.90 PSEN1 (0.54) BACE1APPPSEN1PSEN2APH1B
SCHEMBL8894263 0.87 CTSS (0.47) CTSBCTSLCTSSRENPSMB11
SCHEMBL8893226 0.87 PSEN1 (0.51) BACE1APPPSEN1PSEN2APH1B
SCHEMBL9397295 0.82 PSEN1 (0.46) BACE1APPPSEN1PSEN2APH1B
SCHEMBL4180459 0.82 PSEN1 (0.56) BACE1APPPSEN1PSEN2APH1B
SCHEMBL4180455 0.82 PSEN1 (0.56) BACE1APPPSEN1PSEN2APH1B
SCHEMBL7388307 0.81 CTSK (0.51) CTSBCTSLCTSSCTSD
SCHEMBL7514990 0.81 CTSS (0.51) CTSBCTSLCTSSPSMB5
SCHEMBL14389899 0.80 PSMB8 (0.44) CTSBBACE1CTSDRENPSMB1

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 1 patent. 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