SCHEMBL7328692

SCHEMBL7328692

COC(=O)C(NC(=O)C(NC(=O)C(F)(F)[C@H](O)[C@@H](N)Cc1ccccc1)C(C)C)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSD P07339 16/20 0.54
ANPEP P15144 1/20 0.51
KLK5 Q9Y337 1/20 0.46
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45

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
SCHEMBL10376838 1.00 CTSD (0.54) CTSDANPEPKLK5PSEN1PSEN2
SCHEMBL7323581 0.83 TRPM8 (0.55) CTSDKLK5PSEN1PSEN2APH1B
SCHEMBL7329749 0.83 CTSD (0.54) CTSDKLK5PSEN1PSEN2APH1B
SCHEMBL7322916 0.83 CTSD (0.54) CTSDKLK5PSEN1PSEN2APH1B
SCHEMBL3202559 0.80 CTSD (0.69) CTSDANPEP
SCHEMBL8894290 0.77 CTSD (0.66) CTSDANPEP
SCHEMBL463955 0.76 KLK5 (0.54) CTSDANPEPKLK5
SCHEMBL7329133 0.75 PSEN1 (0.58) CTSDKLK5PSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL7348250 0.75 LAP3 (0.44) ANPEP
SCHEMBL16312279 0.74 CTSD (0.65) CTSD

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
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed