Sugi Predict

Sugi Predict / Compounds / SCHEMBL5580028

SCHEMBL5580028

SCHEMBL5580028

CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)OCc1ccncc1)C(=O)O[C@H](CNCc1cccc(CC)c1)[C@@H](N)Cc1cc(F)cc(F)c1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.73
▸ CTSB P07858 19/20 0.73
▸ CTSD P07339 1/20 0.48

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
SCHEMBL5580022 0.93 BACE1 (0.74) BACE1CTSBCTSD
SCHEMBL5579818 0.93 BACE1 (0.74) BACE1CTSBCTSD
SCHEMBL5579821 0.93 BACE1 (0.74) BACE1CTSBCTSD
SCHEMBL5579453 0.91 CTSB (0.61) BACE1CTSB
SCHEMBL5580062 0.91 CTSB (0.61) BACE1CTSB
SCHEMBL5579451 0.91 CTSB (0.61) BACE1CTSB
SCHEMBL5139719 0.89 BACE1 (0.61) BACE1CTSBCTSD
SCHEMBL5126830 0.89 BACE1 (0.61) BACE1CTSBCTSD
SCHEMBL5126832 0.89 BACE1 (0.61) BACE1CTSBCTSD
SCHEMBL14144689 0.87 BACE1 (0.58) 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 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