SCHEMBL15081037

SCHEMBL15081037

NC(CC1C=CC(SSC2=CCC(CC(N)C(=O)O)C=C2)=CC1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
ALPI P09923 1/20 0.31
PKM P14618 1/20 0.31
PTGS1 P23219 1/20 0.31
XIAP P98170 1/20 0.31
SLC7A5 Q01650 1/20 0.31
GRM2 Q14416 1/20 0.30
GRM3 Q14832 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30

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
SCHEMBL12143574 0.87 SLC7A5 (0.42) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL12673691 0.81 SLC7A5 (0.34) GRIK1GRIK2IDO1TDO2ALPI
SCHEMBL15081000 0.81 SLC7A5 (0.34) GRIK1GRIK2IDO1TDO2ALPI
SCHEMBL11981444 0.78 KCNA5 (0.35) GRIK1GRIK2IDO1TDO2
SCHEMBL12834546 0.78 GRIK1 (0.31) GRIK1GRIK2IDO1TDO2ALPI
SCHEMBL18833749 0.78 GRIK1 (0.34) GRIK1GRIK2ALPIPKMPTGS1
SCHEMBL14189093 0.75 ALPI (0.38) GRIK1GRIK2IDO1TDO2ALPI
SCHEMBL12208676 0.75 ALPI (0.38) GRIK1GRIK2IDO1TDO2ALPI
SCHEMBL12160508 0.75 KMO (0.34) GRIK1GRIK2
SCHEMBL14959877 0.74 IDO1 (0.32) IDO1TDO2

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
US-8476411-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2013-07-02 US disclosed