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Sugi Predict / Compounds / SCHEMBL5579893

SCHEMBL5579893

SCHEMBL5579893

CCCC(CCC)S(=O)(=O)CC(NC(=O)c1sc(C)nc1C)C(=O)O[C@H](CNCc1cccc(CC)c1)[C@@H](N)Cc1cc(F)cc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 20/20 0.53
▸ BACE1 P56817 20/20 0.53

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
SCHEMBL5579895 1.00 CTSB (0.53) CTSBBACE1
SCHEMBL5580024 0.93 CTSB (0.53) CTSBBACE1
SCHEMBL5580023 0.93 CTSB (0.53) CTSBBACE1
SCHEMBL5579905 0.90 CTSB (0.53) CTSBBACE1
SCHEMBL5579877 0.88 BACE1 (0.61) CTSBBACE1
SCHEMBL5579874 0.88 BACE1 (0.61) CTSBBACE1
SCHEMBL5119603 0.87 BACE1 (0.69) CTSBBACE1
SCHEMBL5119610 0.87 BACE1 (0.69) CTSBBACE1
SCHEMBL5579453 0.86 CTSB (0.61) CTSBBACE1
SCHEMBL5579451 0.86 CTSB (0.61) 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