SCHEMBL535167

SCHEMBL535167

N[C@@H](CC(=O)O)C(=O)CO[CH]c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
GRIK1 P39086 4/20 0.38
GRIK2 Q13002 3/20 0.38
LTA4H P09960 3/20 0.37
SLC15A1 P46059 1/20 0.37
PAM P19021 1/20 0.35
ALPI P09923 1/20 0.35
PKM P14618 1/20 0.35
PTGS1 P23219 1/20 0.35
XIAP P98170 1/20 0.35
SLC7A5 Q01650 1/20 0.35
CASP1 P29466 1/20 0.34
CYP2C19 P33261 1/20 0.34
CPA1 P15085 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 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
SCHEMBL3300954 0.77 ALOX15 (0.48) PAMKMT2ASMN1; SMN2ALOX15
SCHEMBL5547366 0.74 KDM4E (0.44) PAMPKMKMT2ASMN1; SMN2
SCHEMBL27429691 0.71 GRIK1 (0.43) GABBR2GABBR1GRIK1GRIK2LTA4H
SCHEMBL27301184 0.71 SLC15A1 (0.54) LTA4HSLC15A1ALPIPKMPTGS1
SCHEMBL7065850 0.71 SLC15A1 (0.54) LTA4HSLC15A1ALPIPKMPTGS1
SCHEMBL28379498 0.71 SLC15A1 (0.54) LTA4HSLC15A1ALPIPKMPTGS1
SCHEMBL5413773 0.71 PTGDR2 (0.66) CASP1KMT2ASMN1; SMN2
Aspartic Acid SCHEMBL23242572 0.70 GRIK1 (0.53) GRIK1GRIK2ALPIPKMPTGS1
SCHEMBL6810004 0.69 GRIK1 (0.47) GABBR2GABBR1GRIK1GRIK2LTA4H
SCHEMBL7384196 0.68 POLB (0.43) KMT2ASMN1; SMN2

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
EP-2414371-A2 HEPARAN SULFATE SYNTHESIS The University Of Georgia Research Foundation, Inc (US) 2012-02-08 EP disclosed
WO-2010117803-A2 HEPARAN SULFATE SYNTHESIS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2010-10-14 WO disclosed