SCHEMBL3192017

SCHEMBL3192017

N[C@@H](CCC(=O)Nc1ccc(O)cc1)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 15/20 0.75
CYP1A1 P04798 1/20 0.60
TRPV1 Q8NER1 1/20 0.51
SLC1A3 P43003 1/20 0.51
SLC1A2 P43004 1/20 0.51
SLC1A1 P43005 1/20 0.51
GAA P10253 1/20 0.50

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
SCHEMBL29398310 1.00 LTA4H (0.75) LTA4HCYP1A1TRPV1SLC1A3SLC1A2
SCHEMBL24032787 0.87 LTA4H (0.75) LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL3503717 0.87 LTA4H (0.75) LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL3503714 0.87 LTA4H (0.75) LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL176813 0.87 LTA4H (0.91) LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL2522620 0.87 LTA4H (0.91) LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL11336055 0.86 LTA4H (0.73) LTA4HSLC1A3SLC1A2SLC1A1GAA
SCHEMBL20238887 0.86 LTA4H (1.00) LTA4HSLC1A3SLC1A2SLC1A1GAA
SCHEMBL20238889 0.86 LTA4H (1.00) LTA4HSLC1A3SLC1A2SLC1A1GAA
SCHEMBL31370195 0.86 LTA4H (0.73) LTA4HSLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57099197-A None JP disclosed
US-20100028469-A1 Extracts of Cranberry and Methods of Using Thereof HERBALSCIENCE GROUP, LLC (US) 2010-02-04 US disclosed
US-20090068713-A1 PROCESS FOR PRODUCING GAMMA-GLUTAMYLAMIDE COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-03-12 US disclosed
US-4603107-A SIMUTANEOUSLY REACTING WITH GLUTAMYLARYLAMIDE, THEN OXIDIZER AND COUPLING AGENT TO GIVE COLORED COMPOUND BOEHRINGER MANNHEIM GMBH (DE) 1986-07-29 US disclosed
JP-S5799197-A PREPARATION OF GAMMA-L-GLUTAMYL-4-HYDROXYANILIDE AJINOMOTO CO INC 1982-06-19 JP disclosed
JP-S05799197-A 0001-01-01 JP disclosed