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Sugi Predict / Compounds / SCHEMBL5579499

SCHEMBL5579499

SCHEMBL5579499

CCCC(CCC)S(=O)(=O)C[C@H](NC(=O)O[C@@H]1CCN(Cc2ccccc2)C1)C(=O)O[C@H](CNCc1cccc(CC)c1)[C@@H](N)Cc1cc(F)cc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.56
▸ CTSB P07858 19/20 0.56
▸ CTSD P07339 1/20 0.41

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
SCHEMBL5579497 1.00 BACE1 (0.56) BACE1CTSBCTSD
SCHEMBL5579553 0.90 CTSB (0.55) BACE1CTSB
SCHEMBL5579916 0.90 CTSB (0.55) BACE1CTSB
SCHEMBL5579918 0.90 CTSB (0.55) BACE1CTSB
SCHEMBL5119822 0.90 CTSB (0.55) BACE1CTSB
SCHEMBL5119827 0.90 CTSB (0.55) BACE1CTSB
SCHEMBL5126859 0.90 CTSB (0.54) BACE1CTSB
SCHEMBL5126856 0.90 CTSB (0.54) BACE1CTSB
SCHEMBL5579729 0.88 CTSB (0.55) BACE1CTSB
SCHEMBL5579731 0.88 CTSB (0.55) BACE1CTSB

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