SCHEMBL18833749

SCHEMBL18833749

CC(=O)C1=CCC(CC(N)C(=O)O)C=C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.34
GRIK2 Q13002 1/20 0.34
SLC7A5 Q01650 2/20 0.33
ALPI P09923 1/20 0.33
PKM P14618 1/20 0.33
PTGS1 P23219 1/20 0.33
XIAP P98170 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
SCHEMBL15081021 0.85 GRIK1 (0.31) GRIK1GRIK2
SCHEMBL15081013 0.85 ALDH1A1 (0.30)
SCHEMBL27256473 0.81 SLC7A5 (0.40) GRIK1GRIK2SLC7A5
SCHEMBL7841366 0.80 GRIK1 (0.30) GRIK1GRIK2
SCHEMBL12673691 0.80 SLC7A5 (0.34) GRIK1GRIK2SLC7A5ALPIPKM
SCHEMBL15081000 0.80 SLC7A5 (0.34) GRIK1GRIK2SLC7A5ALPIPKM
SCHEMBL11981444 0.79 KCNA5 (0.35) GRIK1GRIK2
SCHEMBL15081037 0.78 GRIK1 (0.32) GRIK1GRIK2SLC7A5ALPIPKM
SCHEMBL15080996 0.77 GRIK1 (0.31) GRIK1GRIK2
SCHEMBL14434562 0.77 ITGB2 (0.34) SLC7A5ALPIPKMPTGS1XIAP

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
EP-2217265-B1 MODIFIED INSULIN POLYPEPTIDES AND THEIR USES AMBRX INC (US) 2017-05-10 EP disclosed