Sugi Predict

Sugi Predict / Compounds / Trehalose

Trehalose

Trehalose

SCHEMBL7990885

CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC.OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 1/20 0.53
▸ MAPK1 P28482 1/20 0.51
▸ AKT1 P31749 1/20 0.51
▸ DGKA P23743 1/20 0.49
▸ GJB2 P29033 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
SCHEMBL19958459 0.89 TLR4 (0.63) TLR4AKT1GJB2
SCHEMBL12837376 0.89 TLR4 (0.63) TLR4AKT1GJB2
SCHEMBL13449598 0.89 TLR4 (0.63) TLR4AKT1GJB2
Trehalose SCHEMBL9058515 0.87 GJB2 (0.53) TLR4MAPK1AKT1GJB2
SCHEMBL14166276 0.85 MAPK1 (0.53) MAPK1DGKA
SCHEMBL3393533 0.84 LGALS8 (0.50) TLR4GJB2
SCHEMBL4199470 0.84 LGALS8 (0.50) TLR4GJB2
SCHEMBL4185394 0.84 LGALS8 (0.50) TLR4GJB2
SCHEMBL3393530 0.84 GJB2 (0.50) TLR4GJB2
SCHEMBL3388845 0.84 GJB2 (0.50) TLR4GJB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1011609-A4 COMPOSITIONS FOR COSMETIC APPLICATIONS MEDLOGIC GLOBAL CORP (US) 2000-08-16 — — EP disclosed
EP-1011609-A1 COMPOSITIONS FOR COSMETIC APPLICATIONS MedLogic Global Corporation (US) 2000-06-28 — — EP disclosed
WO-1998050005-A1 COMPOSITIONS FOR COSMETIC APPLICATIONS MEDLOGIC GLOBAL CORPORATION (US) 1998-11-12 — — WO disclosed