SCHEMBL26242264

SCHEMBL26242264

O=C(O)CCCC(=O)NC(CSSCC(NC(=O)CCCC(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.46
▸ GSTK1 Q9Y2Q3 1/20 0.46
▸ GLO1 Q04760 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ GNPAT O15228 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ SLC22A6 Q4U2R8 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ FNTA P49354 2/20 0.34
▸ FNTB P49356 2/20 0.34
▸ PGGT1B P53609 1/20 0.34
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33
▸ TLR2 O60603 1/20 0.33

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
SCHEMBL20438348 1.00 PTGS1 (0.46) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL19774718 0.91 PTGS1 (0.42) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL24374682 0.89 PTGS1 (0.45) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL19709736 0.88 PTGS1 (0.65) PTGS1GSTK1GLO1FNTAFNTB
SCHEMBL23966122 0.87 PTGS1 (0.41) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL24072492 0.85 PTGS1 (0.42) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL19492417 0.84 PTGS1 (0.41) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL24829528 0.83 GSTK1 (0.65) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL19774705 0.83 GSTK1 (0.65) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL18383664 0.83 GSTK1 (0.65) PTGS1GSTK1GLO1ALDH1A1LMNA

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
EP-3468563-B1 COMPOUNDS FOR DELIVERING GLUTATHIONE TO A TARGET AND METHODS OF MAKING AND USING THE SAME UNIV OREGON STATE (US) 2023-09-13 — — EP disclosed
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