SCHEMBL10280918

SCHEMBL10280918

C/C=C/C[C@@H](C)C(CC(N)=O)OC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.34
GRIK2 Q13002 2/20 0.34
CTSK P43235 2/20 0.30
TUBAL3 A6NHL2 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBA3E Q6PEY2 1/20 0.30
TUBA1A Q71U36 1/20 0.30
TUBA1C Q9BQE3 1/20 0.30
TUBA8 Q9NY65 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
SCHEMBL15187037 0.83 GRIK1 (0.33) GRIK1GRIK2
SCHEMBL17518330 0.82
SCHEMBL13510737 0.82
SCHEMBL17087581 0.81 GRIK1 (0.34) GRIK1GRIK2
SCHEMBL17919993 0.80 GRIK1 (0.30) GRIK1GRIK2
SCHEMBL17920241 0.80 GRIK1 (0.30) GRIK1GRIK2
SCHEMBL13447538 0.80 GRIK1 (0.39) GRIK1GRIK2CTSK
SCHEMBL19984497 0.80 GRIK1 (0.39) GRIK1GRIK2CTSK
SCHEMBL18737070 0.79
SCHEMBL17518273 0.77 CTSK (0.31) CTSK

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-2012021796-A2 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL, INC. (US) 2012-02-16 WO disclosed