SCHEMBL23865486

SCHEMBL23865486

C/N=C/CC(CC(C)C(C)=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 9/20 0.39
▸ GRIK2 Q13002 9/20 0.39
▸ SLC1A3 P43003 2/20 0.33
▸ SLC1A2 P43004 2/20 0.33
▸ SLC1A1 P43005 1/20 0.33
▸ CPA1 P15085 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
SCHEMBL23586136 0.74 — —
SCHEMBL10123740 0.72 SLC1A2 (0.54) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL14037696 0.71 SLC1A2 (0.52) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL8389926 0.67 FOLH1 (0.41) GRIK1GRIK2
SCHEMBL2344654 0.67 NAALAD2 (0.48) —
SCHEMBL12951360 0.67 NAALAD2 (0.48) —
SCHEMBL18327109 0.67 SLC1A2 (0.38) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL12891365 0.66 ALDH1A1 (0.40) —
SCHEMBL17953984 0.66 ALDH1A1 (0.40) —
SCHEMBL8971305 0.65 FOLH1 (0.46) —

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-3287436-B1 COMPOUNDS AND COMPOSITIONS FOR USE IN THE TREATMENT OF BCAT1-MEDIATED DISEASES ERGON PHARMACEUTICALS LLC (US) 2021-09-29 — — EP disclosed
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