SCHEMBL5063030

SCHEMBL5063030

NC(CCC(=O)NC(CSC(=O)N(O)c1ccccc1Br)C(=O)NCC(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 7/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ GSTK1 Q9Y2Q3 1/20 0.50
▸ LTA4H P09960 3/20 0.36
▸ NOD1 Q9Y239 1/20 0.33
▸ ABCC1 P33527 1/20 0.33

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
SCHEMBL3280199 0.88 GLO1 (0.60) GLO1PTGS1GSTK1LTA4HNOD1
SCHEMBL3280191 0.88 GLO1 (0.60) GLO1PTGS1GSTK1LTA4HNOD1
SCHEMBL3281581 0.85 GLO1 (0.62) GLO1PTGS1GSTK1LTA4HNOD1
SCHEMBL3281589 0.85 GLO1 (0.62) GLO1PTGS1GSTK1LTA4HNOD1
SCHEMBL13405584 0.82 GLO1 (0.61) GLO1PTGS1GSTK1LTA4HNOD1
SCHEMBL3279946 0.81 GLO1 (0.60) GLO1PTGS1GSTK1NOD1
SCHEMBL3279951 0.81 GLO1 (0.60) GLO1PTGS1GSTK1NOD1
SCHEMBL3281097 0.81 GLO1 (0.72) GLO1PTGS1GSTK1LTA4HNOD1
SCHEMBL3281101 0.81 GLO1 (0.72) GLO1PTGS1GSTK1LTA4HNOD1
Octanedioate SCHEMBL5671265 0.81 GLO1 (0.62) GLO1PTGS1GSTK1NOD1

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
US-20120291148-A1 TRANSGENIC PLANTS WITH ENHANCED CHARACTERISTICS MIAMI UNIVERSITY (US) 2012-11-15 — — US disclosed
US-20080295194-A1 TRANSGENIC PLANTS WITH ENHANCED CHARACTERISTICS MIAMI UNIVERSITY 2008-11-27 — — US disclosed
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