SCHEMBL7743856

SCHEMBL7743856

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.53
GSTK1 Q9Y2Q3 1/20 0.53
GLO1 Q04760 2/20 0.47
DPP4 P27487 1/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
GRM8 O00222 1/20 0.38
GRM6 O15303 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GSR P00390 1/20 0.38
CYP1A2 P05177 1/20 0.38
GRIK1 P39086 1/20 0.38
GRM5 P41594 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38

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
SCHEMBL7743858 1.00 PTGS1 (0.53) PTGS1GSTK1GLO1DPP4DPP8
SCHEMBL29586584 0.92 PTGS1 (0.53) PTGS1GSTK1GLO1DPP4DPP8
SCHEMBL13886471 0.92 PTGS1 (0.54) PTGS1GSTK1GLO1DPP4DPP8
SCHEMBL3909775 0.92 PTGS1 (0.54) PTGS1GSTK1GLO1DPP4DPP8
SCHEMBL3441430 0.91 GLO1 (0.47) PTGS1GSTK1GLO1DPP4DPP8
SCHEMBL3441429 0.91 GLO1 (0.47) PTGS1GSTK1GLO1DPP4DPP8
SCHEMBL29597665 0.91 PTGS1 (0.52) PTGS1GSTK1GLO1DPP4DPP8
SCHEMBL29526128 0.88 PTGS1 (0.51) PTGS1GSTK1GLO1DPP4DPP8
SCHEMBL30423808 0.88 PTGS1 (0.48) PTGS1GSTK1GLO1DPP4DPP8
SCHEMBL22316501 0.86 PTGS1 (0.58) PTGS1GSTK1GLO1DPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0969855-A4 NOVEL LOW DENSITY LIPOPROTEIN BINDING PROTEINS AND THEIR USE IN DIAGNOSING AND TREATING ATHEROSCLEROSIS BOSTON HEART FOUNDATION INC (US) 2001-08-16 EP disclosed
EP-0969855-A1 NOVEL LOW DENSITY LIPOPROTEIN BINDING PROTEINS AND THEIR USE IN DIAGNOSING AND TREATING ATHEROSCLEROSIS Boston Heart Foundation, Inc. (US) 2000-01-12 EP disclosed
WO-1998023282-A1 NOVEL LOW DENSITY LIPOPROTEIN BINDING PROTEINS AND THEIR USE IN DIAGNOSING AND TREATING ATHEROSCLEROSIS BOSTON HEART FOUNDATION, INC. (US) 1998-06-04 WO disclosed