SCHEMBL13239076

SCHEMBL13239076

CC(=O)C(N)CCC(=O)NC(CS)C(=O)NCC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.55
GSTK1 Q9Y2Q3 1/20 0.55
GLO1 Q04760 1/20 0.39
FNTA P49354 3/20 0.37
FNTB P49356 3/20 0.37
PGGT1B P53609 1/20 0.37
NOD1 Q9Y239 7/20 0.36
CPB2 Q96IY4 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
PTGS2 P35354 1/20 0.31
THPO P40225 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13345752 0.90 PTGS1 (0.70) PTGS1GSTK1GLO1FNTAFNTB
SCHEMBL15246665 0.83 PTGS1 (0.80) PTGS1GSTK1GLO1FNTAFNTB
SCHEMBL13869526 0.83 PTGS1 (0.57) PTGS1GSTK1GLO1FNTAFNTB
SCHEMBL12809427 0.81 PTGS1 (0.52) PTGS1GSTK1GLO1FNTAFNTB
SCHEMBL12782329 0.75 PTGS1 (0.57) PTGS1GSTK1GLO1FNTAFNTB
SCHEMBL13160954 0.75 PTGS1 (0.80) PTGS1GSTK1GLO1FNTAFNTB
SCHEMBL677435 0.75 PTGS1 (0.80) PTGS1GSTK1GLO1FNTAFNTB
SCHEMBL23639668 0.74 PTGS1 (0.74) PTGS1GSTK1GLO1FNTAFNTB
SCHEMBL20215625 0.74 PTGS1 (0.74) PTGS1GSTK1GLO1FNTAFNTB
SCHEMBL24360271 0.74 PTGS1 (0.75) PTGS1GSTK1GLO1FNTAFNTB

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-7763649-B2 Carotenoid analogs or derivatives for controlling connexin 43 expression CARDAX PHARMACEUTICALS, INC. (US) 2010-07-27 US disclosed