SCHEMBL13588665

SCHEMBL13588665

C=C1CSCC(CN(C)/C=C/C=C(C(=O)OCC)C(=O)OCC)OC1=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
MAPT P10636 1/20 0.30
IDE P14735 1/20 0.30
TNNI3 P19429 1/20 0.30
TNNT2 P45379 1/20 0.30
TNNC1 P63316 1/20 0.30
KMT2A Q03164 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
SCHEMBL14279175 0.64 GLO1 (0.52) ALDH1A1GAAMEN1USP2MAPT
SCHEMBL19240026 0.60 GLO1 (0.50) ALDH1A1GAAMEN1MAPTKMT2A
SCHEMBL14279205 0.59 GLO1 (0.48) ALDH1A1GAAMEN1USP2MAPT
SCHEMBL12758230 0.59 GLO1 (0.44) ALDH1A1GAAMEN1USP2MAPT
SCHEMBL13412687 0.58 GLO1 (0.67) ALDH1A1GAAMEN1USP2MAPT
SCHEMBL12294355 0.57 GLO1 (0.46) ALDH1A1GAAMEN1MAPTKMT2A
SCHEMBL9889247 0.57 GLO1 (0.50) ALDH1A1GAAMEN1USP2MAPT
SCHEMBL9892450 0.57 GLO1 (0.46) ALDH1A1GAAMEN1MAPTKMT2A
SCHEMBL15273109 0.57 GLO1 (0.77) ALDH1A1GAAMEN1MAPTKMT2A
SCHEMBL14279206 0.57 GLO1 (0.57) ALDH1A1GAAMEN1MAPTKMT2A

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
US-20090297955-A1 OPTICAL RECORDING COMPOSITION, HOLOGRAPHIC RECORDING MEDIUM, AND METHOD OF RECORDING AND REPRODUCING INFORMATION FUJIFILM CORPORATION (JP) 2009-12-03 US disclosed