SCHEMBL16770243

SCHEMBL16770243

N[C@@H](CCC(=O)O)C(=O)NC(CS)C(=O)NC(CS)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.58
PTGS1 P23219 1/20 0.54
GSTK1 Q9Y2Q3 1/20 0.54
DPP4 P27487 1/20 0.50
DPP8 Q6V1X1 1/20 0.50
DPP9 Q86TI2 1/20 0.50
ACE P12821 1/20 0.49
GRM8 O00222 1/20 0.48
GRM6 O15303 1/20 0.48
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GSR P00390 1/20 0.48
CYP1A2 P05177 1/20 0.48
GRIK1 P39086 1/20 0.48
GRM5 P41594 1/20 0.48
GRIA1 P42261 1/20 0.48
GRIA2 P42262 1/20 0.48
GRIA3 P42263 1/20 0.48
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48

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
SCHEMBL27611010 1.00 FOLH1 (0.58) FOLH1PTGS1GSTK1DPP4DPP8
SCHEMBL27611015 1.00 FOLH1 (0.58) FOLH1PTGS1GSTK1DPP4DPP8
SCHEMBL210006 0.97 FOLH1 (0.62) FOLH1PTGS1GSTK1DPP4DPP8
SCHEMBL15420941 0.97 FOLH1 (0.62) FOLH1PTGS1GSTK1DPP4DPP8
SCHEMBL210315 0.97 FOLH1 (0.62) FOLH1PTGS1GSTK1DPP4DPP8
SCHEMBL536354 0.97 FOLH1 (0.62) FOLH1PTGS1GSTK1DPP4DPP8
SCHEMBL15420942 0.97 FOLH1 (0.62) FOLH1PTGS1GSTK1DPP4DPP8
SCHEMBL29400349 0.95 FOLH1 (0.54) FOLH1PTGS1GSTK1DPP4DPP8
SCHEMBL6810234 0.95 FOLH1 (0.61) FOLH1PTGS1GSTK1DPP4DPP8
SCHEMBL6810241 0.95 FOLH1 (0.61) FOLH1PTGS1GSTK1DPP4DPP8

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
WO-2015081117-A2 THERAPEUTIC METAL COMPLEXES ECHOGEN, INC. (US) 2015-06-04 WO disclosed