SCHEMBL25861362

SCHEMBL25861362

COOC(=O)CNC(=O)C(CS)NC(=O)CCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.48
▸ GSTK1 Q9Y2Q3 1/20 0.48
▸ TSHR P16473 1/20 0.38
▸ RECQL P46063 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ FNTA P49354 2/20 0.34
▸ FNTB P49356 2/20 0.34
▸ PGGT1B P53609 1/20 0.34
▸ GLO1 Q04760 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ FOLH1 Q04609 1/20 0.33
▸ LPAR3 Q9UBY5 3/20 0.32
▸ LPAR1 Q92633 1/20 0.32

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
SCHEMBL18383664 0.83 GSTK1 (0.65) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL24829528 0.83 GSTK1 (0.65) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL19774705 0.83 GSTK1 (0.65) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL25861459 0.83 PTGS1 (0.58) PTGS1GSTK1TSHRRECQLPOLB
SCHEMBL18924223 0.81 PTGS1 (0.52) PTGS1GSTK1RECQLFNTAFNTB
SCHEMBL18924221 0.79 PTGS1 (0.50) PTGS1GSTK1RECQLFNTAFNTB
SCHEMBL26483467 0.77 PTGS1 (0.60) PTGS1GSTK1RECQLPOLBFNTA
SCHEMBL26819626 0.75 PTGS1 (0.62) PTGS1GSTK1RECQLPOLBFNTA
SCHEMBL14781467 0.72 PTGS1 (0.66) PTGS1GSTK1TSHRFNTAFNTB
SCHEMBL19940239 0.72 PTGS1 (0.47) PTGS1GSTK1RECQLPOLBGLO1

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
WO-2023133117-A2 AQUEOUS SOLUTION COMPRISING A GLUTATHIONE SALT RENOVION, INC. (US) 2023-07-13 — — WO disclosed
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