SCHEMBL28616265

SCHEMBL28616265

CC(=CC(C)CN=C=O)C(=O)O

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.30
GRIA2 P42262 2/20 0.30
GRIA4 P48058 2/20 0.30
GRIK3 Q13003 2/20 0.30
GRIK5 Q16478 2/20 0.30
GRIA1 P42261 1/20 0.30
GRIK2 Q13002 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
SCHEMBL8192839 1.00 GRIK1 (0.30) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL9653529 0.82
SCHEMBL9653533 0.82
SCHEMBL74358 0.76 GRIK1 (0.31) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL74357 0.76 GRIK1 (0.31) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL3040263 0.75 GRIK1 (0.30) GRIK1
SCHEMBL27805093 0.74 GRIK1 (0.31) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL30826555 0.74 SLC22A6 (0.35) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL1839680 0.71 GRIK1 (0.31) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL2871424 0.71 GRIK1 (0.31) GRIK1GRIA2GRIA4GRIK3GRIK5

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
CN-109219653-B Detergent composition 横滨橡胶株式会社 2021-07-13 CN disclosed