SCHEMBL6660935

SCHEMBL6660935

CCOC(=O)CN(C(=O)CC)C(=O)C(CS)NC(=O)CCC(N)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 8/20 0.42
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PTGS1 P23219 1/20 0.38
GSTK1 Q9Y2Q3 1/20 0.38
GLO1 Q04760 1/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL6659930 0.92 PTGS1 (0.47) NOD1KMT2APOLBL3MBTL1PTGS1
SCHEMBL5812833 0.91 NOD1 (0.42) NOD1KMT2APOLBL3MBTL1PTGS1
SCHEMBL6661832 0.90 NOD1 (0.43) NOD1KMT2APOLBL3MBTL1PTGS1
SCHEMBL6661084 0.89 PTGS1 (0.38) NOD1KMT2APOLBL3MBTL1PTGS1
SCHEMBL6679478 0.88 PTGS1 (0.37) NOD1KMT2APOLBL3MBTL1PTGS1
SCHEMBL6661607 0.86 PTGS1 (0.36) NOD1KMT2APOLBL3MBTL1PTGS1
SCHEMBL6665704 0.85 NOD1 (0.46) NOD1KMT2APOLBL3MBTL1GLO1
SCHEMBL6664720 0.85 PTGS1 (0.45) NOD1PTGS1GSTK1GLO1
SCHEMBL6663009 0.84 PTGS1 (0.48) NOD1PTGS1GSTK1GLO1
SCHEMBL4213412 0.83 NOD1 (0.41) NOD1KMT2APOLBL3MBTL1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147452-A1 Non-amphoteric glutathione derivative compositions for tropical application YU RUEY J 2004-07-29 US claimed
WO-2004010968-A1 NON-AMPHOTERIC GLUTATHIONE DERIVATIVE COMPOSITIONS FOR TOPICAL APPLICATION YU RUEY J (US) 2004-02-05 WO claimed
US-20040147452-A1 Non-amphoteric glutathione derivative compositions for tropical application YU RUEY J 2004-07-29 US disclosed
WO-2004010968-A1 NON-AMPHOTERIC GLUTATHIONE DERIVATIVE COMPOSITIONS FOR TOPICAL APPLICATION YU RUEY J (US) 2004-02-05 WO disclosed