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Sugi Predict / Compounds / SCHEMBL5579534

SCHEMBL5579534

SCHEMBL5579534

CCCCS(=O)(=O)C[C@@H](NC(=O)c1cc(C)n[nH]1)C(=O)O[C@H](CNCc1cccc(CC)c1)[C@@H](N)Cc1cc(F)cc(F)c1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 20/20 0.60
▸ BACE1 P56817 20/20 0.60

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
SCHEMBL5579658 0.94 CTSB (0.53) CTSBBACE1
SCHEMBL5579970 0.92 CTSB (0.51) CTSBBACE1
SCHEMBL5579594 0.90 CTSB (0.54) CTSBBACE1
SCHEMBL5579801 0.90 CTSB (0.54) CTSBBACE1
SCHEMBL5579806 0.90 CTSB (0.54) CTSBBACE1
SCHEMBL5579826 0.88 BACE1 (0.48) CTSBBACE1
SCHEMBL5120913 0.87 CTSB (0.68) CTSBBACE1
SCHEMBL5121794 0.87 CTSB (0.70) CTSBBACE1
SCHEMBL5117853 0.86 CTSB (0.59) CTSBBACE1
SCHEMBL5579986 0.86 CTSB (0.57) CTSBBACE1

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-7294642-B2 1,3-Diamino-2-hydroxypropane pro-drug derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-11-13 — — US claimed