SCHEMBL7601030

SCHEMBL7601030

C=CC/C(C(=O)O)=C(\CC)CC=CC(CC=C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.34
GRIA4 P48058 1/20 0.34
GRIK3 Q13003 1/20 0.34
GRIK5 Q16478 1/20 0.34

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
SCHEMBL6648611 0.74 ALDH1A1 (0.42) GRIK1
SCHEMBL6648608 0.74 ALDH1A1 (0.42) GRIK1
SCHEMBL11736114 0.72 TSHR (0.34) GRIK1
SCHEMBL3737342 0.67 GRIK1 (0.38) GRIK1
SCHEMBL3737344 0.67 GRIK1 (0.38) GRIK1
SCHEMBL6024479 0.67 GRIK1 (0.38) GRIK1
SCHEMBL9860955 0.66 ALDH1A1 (0.39) GRIK1GRIA4GRIK3GRIK5
SCHEMBL211112 0.66 LMNA (0.32)
Di(Hydroxyethyl)Ether SCHEMBL28331810 0.65 GRIK1 (0.35) GRIK1GRIA4GRIK3GRIK5
SCHEMBL8514554 0.63 ALDH1A1 (0.36) GRIK1GRIA4GRIK3GRIK5

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-1251122-A1 Process for the preparation of epsilon-Caprolactam DSM N.V. (NL) 2002-10-23 EP disclosed