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Sugi Predict / Compounds / SCHEMBL14366154

SCHEMBL14366154

SCHEMBL14366154

CCCC(CCC)S(=O)(=O)CC(NS(=O)(=O)c1ccccc1)C(=O)O[C@H](CNCc1cccc(CC)c1)[C@@H](N)Cc1cc(F)cc(F)c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.59
▸ CTSB P07858 19/20 0.59
▸ CTSD P07339 1/20 0.43

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
Hydrochloric Acid SCHEMBL5124568 0.99 BACE1 (0.58) BACE1CTSBCTSD
Hydrochloric Acid SCHEMBL5124575 0.99 BACE1 (0.58) BACE1CTSBCTSD
SCHEMBL5129790 0.89 BACE1 (0.60) BACE1CTSBCTSD
SCHEMBL5129788 0.89 BACE1 (0.60) BACE1CTSBCTSD
SCHEMBL5119603 0.89 BACE1 (0.69) BACE1CTSBCTSD
SCHEMBL5119610 0.89 BACE1 (0.69) BACE1CTSBCTSD
SCHEMBL5130171 0.88 BACE1 (0.58) BACE1CTSBCTSD
SCHEMBL14131268 0.88 BACE1 (0.58) BACE1CTSBCTSD
SCHEMBL5130166 0.88 BACE1 (0.58) BACE1CTSBCTSD
SCHEMBL14131478 0.88 BACE1 (0.45) BACE1CTSBCTSD

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