SCHEMBL13345752

SCHEMBL13345752

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

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.70
GSTK1 Q9Y2Q3 1/20 0.70
GLO1 Q04760 1/20 0.49
NOD1 Q9Y239 11/20 0.46
FNTA P49354 2/20 0.42
FNTB P49356 2/20 0.42
PGGT1B P53609 1/20 0.42
FOLH1 Q04609 1/20 0.39
CPB2 Q96IY4 1/20 0.37

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
SCHEMBL13239076 0.90 PTGS1 (0.55) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL24359868 0.85 PTGS1 (0.75) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL24360271 0.85 PTGS1 (0.75) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL928708 0.85 PTGS1 (0.79) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL20215625 0.85 PTGS1 (0.74) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL23639668 0.85 PTGS1 (0.74) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL4408402 0.84 PTGS1 (0.73) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL680902 0.83 PTGS1 (0.76) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL9817253 0.83 PTGS1 (0.76) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL10797351 0.83 PTGS1 (0.76) PTGS1GSTK1GLO1NOD1FNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723327-B2 Carotenoid ester analogs or derivatives for the inhibition and amelioration of liver disease CARDAX PHARMACEUTICALS, INC. (US) 2010-05-25 US disclosed
US-7723327-B2 Carotenoid ester analogs or derivatives for the inhibition and amelioration of liver disease CARDAX PHARMACEUTICALS, INC. (US) 2010-05-25 US disclosed
US-7592449-B2 Structural carotenoid analogs for the inhibition and amelioration of disease CARDAX PHARMACEUTICALS, INC. (US) 2009-09-22 US disclosed
US-7320997-B2 Pharmaceutical compositions including carotenoid ester analogs or derivatives for the inhibition and amelioration of disease CARDAX PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7317008-B2 Carotenoid ester analogs or derivatives for the inhibition and amelioration of ischemic reperfusion injury CARDAX PHARMACEUTICALS, INC. (US) 2008-01-08 US disclosed