SCHEMBL13619949

SCHEMBL13619949

C[C@H](O)C[C@H](O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
KDM4E B2RXH2 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
AOC3 Q16853 5/20 0.52
RIPK1 Q13546 1/20 0.50
TRPA1 O75762 3/20 0.47
ADRA2A P08913 1/20 0.46
ADRA2C P18825 1/20 0.46
HIF1A Q16665 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL3097213 1.00 LMNA (0.60) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL75953 1.00 LMNA (0.60) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL8425086 1.00 LMNA (0.60) LMNAKDM4EL3MBTL1AOC3RIPK1
Ammonia Solution, Strong SCHEMBL3568139 0.98 LMNA (0.58) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL11251295 0.89 LMNA (0.54) LMNAKDM4EL3MBTL1AOC3RIPK1
Benzoic Acid SCHEMBL569379 0.87 DAO (0.50) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL13433805 0.86 LMNA (0.60) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL477671 0.86 LMNA (0.60) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL13433806 0.86 LMNA (0.60) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL7125858 0.85 KDM4E (0.46) LMNAKDM4EL3MBTL1AOC3RIPK1

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
WO-2009137691-A2 1,3-DIOL SYNTHESIS VIA CONTROLLED, RADICAL-MEDIATED C-H FUNCTIONALIZATION THE SCRIPPS RESEARCH INSTITUTE (US) 2009-11-12 WO disclosed