SCHEMBL11870371

SCHEMBL11870371

NC(CCC(=O)NC(CSCCc1ccccn1)C(=O)NCC(=O)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.51
▸ GSTK1 Q9Y2Q3 1/20 0.51
▸ GLO1 Q04760 3/20 0.46
▸ HTT P42858 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ PKM P14618 1/20 0.41
▸ HPGD P15428 1/20 0.40

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
SCHEMBL11873490 1.00 PTGS1 (0.51) PTGS1GSTK1GLO1HTTMAPK1
SCHEMBL11863966 0.91 PTGS1 (0.53) PTGS1GSTK1GLO1MAPK1ALDH1A1
SCHEMBL11863989 0.91 PTGS1 (0.53) PTGS1GSTK1GLO1MAPK1ALDH1A1
SCHEMBL11874925 0.87 PTGS1 (0.58) PTGS1GSTK1GLO1
SCHEMBL11874912 0.87 PTGS1 (0.58) PTGS1GSTK1GLO1
SCHEMBL11875270 0.83 PTGS1 (0.55) PTGS1GSTK1GLO1
SCHEMBL11870398 0.83 PTGS1 (0.55) PTGS1GSTK1GLO1
SCHEMBL3234968 0.81 PTGS1 (0.53) PTGS1GSTK1GLO1ALDH1A1
SCHEMBL7081152 0.81 PTGS1 (0.68) PTGS1GSTK1GLO1
SCHEMBL7081151 0.81 PTGS1 (0.68) PTGS1GSTK1GLO1

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-3984569-A Cosmetic compositions for treating the hair containing S-substituted derivatives of glutathione L'OREAL (FR) 1976-10-05 — — US disclosed
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