SCHEMBL7558849

SCHEMBL7558849

CCCCC=C(C(=O)O)C(C)CC

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.46
GRIK1 P39086 1/20 0.45
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
CA2 P00918 1/20 0.35
MAPK1 P28482 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
CA1 P00915 2/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL7558847 1.00 EP300 (0.46) EP300GRIK1F7F3CA2
SCHEMBL7559084 0.88 GRIK1 (0.42) EP300GRIK1TSHR
SCHEMBL7559080 0.88 GRIK1 (0.42) EP300GRIK1TSHR
SCHEMBL7564268 0.86 EP300 (0.50) EP300GRIK1F7F3TSHR
SCHEMBL7564265 0.86 EP300 (0.50) EP300GRIK1F7F3TSHR
SCHEMBL7178549 0.82 EP300 (0.47) EP300GRIK1F7F3TSHR
SCHEMBL20564583 0.81 CYP1A2 (0.38)
SCHEMBL28777510 0.80 EP300 (0.48) EP300GRIK1F7F3TSHR
SCHEMBL6000457 0.79 GRIK1 (0.38) GRIK1
SCHEMBL7559349 0.79 GRIK1 (0.38) GRIK1

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