SCHEMBL4797477

SCHEMBL4797477

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.53
GRM2 Q14416 2/20 0.53
GRM3 Q14832 2/20 0.53
SLC1A1 P43005 2/20 0.53
SLC1A3 P43003 1/20 0.53
SLC1A2 P43004 1/20 0.53
GRIK1 P39086 4/20 0.47
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
GRIK2 Q13002 3/20 0.46

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
SCHEMBL5495806 0.90 KIF11 (0.50) KIF11GRM2GRM3SLC1A1SLC1A3
SCHEMBL4990298 0.82 KIF11 (0.57) KIF11GRM2GRM3SLC1A1SLC1A3
SCHEMBL14975565 0.76 KIF11 (0.43) KIF11GRM2GRM3SLC1A1SLC1A3
SCHEMBL3785507 0.76 FOLH1 (0.48) KIF11
SCHEMBL34784 0.76 FOLH1 (0.48) KIF11
SCHEMBL29351710 0.72 KIF11 (0.48) KIF11ALPIPKMPTGS1XIAP
SCHEMBL29053899 0.72 KIF11 (0.68) KIF11ALPIPKMPTGS1XIAP
SCHEMBL29053902 0.72 KIF11 (0.68) KIF11ALPIPKMPTGS1XIAP
SCHEMBL27346918 0.71 TSHR (0.47) KIF11GRIK1
SCHEMBL27349964 0.71 TSHR (0.47) KIF11GRIK1

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-2008089256-A2 POLYMERIC THERAPEUTICS CAPPELLA, INC. (US) 2008-07-24 WO disclosed