SCHEMBL7559080

SCHEMBL7559080

CCC/C=C(/C(=O)O)C(C)CC

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.42
GRIK2 Q13002 1/20 0.42
EP300 Q09472 1/20 0.35
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL7559084 1.00 GRIK1 (0.42) GRIK1GRIK2EP300ALDH1A1CYP1A2
SCHEMBL7558849 0.88 EP300 (0.46) GRIK1EP300TSHR
SCHEMBL7558847 0.88 EP300 (0.46) GRIK1EP300TSHR
SCHEMBL7564329 0.85 GRIK1 (0.46) GRIK1GRIK2EP300ALDH1A1CYP1A2
SCHEMBL7564325 0.85 GRIK1 (0.46) GRIK1GRIK2EP300ALDH1A1CYP1A2
SCHEMBL20564583 0.84 CYP1A2 (0.38) ALDH1A1CYP1A2
SCHEMBL6000457 0.83 GRIK1 (0.38) GRIK1GRIK2
SCHEMBL7559349 0.83 GRIK1 (0.38) GRIK1GRIK2
SCHEMBL19398819 0.79 GRIK1 (0.46) GRIK1GRIK2EP300ALDH1A1CYP1A2
SCHEMBL16697925 0.79 GRIK1 (0.50) GRIK1GRIK2EP300ALDH1A1CYP1A2

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-1227111-A1 TRIPHENYLBORON-CONTAINING POLYMERS AND USE THEREOF Yoshitomi Fine Chemicals, Ltd. (JP) 2002-07-31 EP disclosed