SCHEMBL8774782

SCHEMBL8774782

CCCCCCCCOC(=O)CNC(=O)C(CS)NC(=O)CCC(N)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.63
GSTK1 Q9Y2Q3 1/20 0.63
NOD1 Q9Y239 15/20 0.61
GLO1 Q04760 1/20 0.46

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
SCHEMBL10803638 1.00 PTGS1 (0.63) PTGS1GSTK1NOD1GLO1
SCHEMBL10801547 1.00 PTGS1 (0.63) PTGS1GSTK1NOD1GLO1
SCHEMBL9817304 1.00 PTGS1 (0.63) PTGS1GSTK1NOD1GLO1
SCHEMBL2048447 0.99 PTGS1 (0.64) PTGS1GSTK1NOD1GLO1
SCHEMBL6249653 0.93 NOD1 (0.59) PTGS1GSTK1NOD1GLO1
SCHEMBL5066368 0.92 PTGS1 (0.53) PTGS1GSTK1NOD1GLO1
SCHEMBL10490007 0.91 PTGS1 (0.68) PTGS1GSTK1NOD1GLO1
SCHEMBL1503471 0.91 PTGS1 (0.68) PTGS1GSTK1NOD1GLO1
SCHEMBL2119393 0.91 PTGS1 (0.64) PTGS1GSTK1NOD1GLO1
SCHEMBL11867531 0.89 NOD1 (0.59) PTGS1GSTK1NOD1GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623342-B1 Use of an alkyl ester of glutathione in a cosmetic or dermatological composition for the topical treatment of skin ageing OREAL (FR) 1997-09-17 EP claimed
WO-1996023879-A1 GLUBODIES - MULTIPLICITIES OF PROTEINS CAPABLE OF BINDING A VARIETY OF SMALL MOLECULES TERRAPIN TECHNOLOGIES, INC. (US) 1996-08-08 WO disclosed