SCHEMBL8585232

SCHEMBL8585232

CC(C)(C(=O)O)N(CC(O)c1ccccc1)CC(O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.51
RIPK1 Q13546 1/20 0.47
LMNA P02545 1/20 0.46
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
BCAT2 O15382 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
ADRB3 P13945 3/20 0.39

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
SCHEMBL8587117 0.85 AOC3 (0.47) AOC3RIPK1LMNAKDM4EMEN1
SCHEMBL5069152 0.76 AOC3 (0.51) AOC3RIPK1LMNAKDM4EMEN1
SCHEMBL1527256 0.76 AOC3 (0.51) AOC3RIPK1LMNAKDM4EMEN1
SCHEMBL5069157 0.76 AOC3 (0.51) AOC3RIPK1LMNAKDM4EMEN1
SCHEMBL4595769 0.73 AOC3 (0.49) AOC3RIPK1LMNAKDM4EMEN1
SCHEMBL16901650 0.73 AOC3 (0.61) AOC3LMNAKDM4EMEN1KMT2A
SCHEMBL10530291 0.73 AOC3 (0.56) AOC3RIPK1LMNAKDM4EMEN1
SCHEMBL14393835 0.73 AOC3 (0.61) AOC3LMNAKDM4EMEN1KMT2A
SCHEMBL15006719 0.73 RIPK1 (0.52) AOC3RIPK1LMNAKDM4ESMN1; SMN2
SCHEMBL2093623 0.73 AOC3 (0.61) AOC3LMNAKDM4EMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839032-A4 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE IONS, COMPOUNDS FHJ SCIENT INC (US) 1998-07-08 EP disclosed
EP-0839032-A1 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE IONS, COMPOUNDS FHJ SCIENTIFIC, INC. (US) 1998-05-06 EP disclosed
US-5679711-A Hydroxyl ions as novel therapeutic agents and compounds that modulate these ions, compositions employing these agents, therapeutic methods for using such agents FHJ SCIENTIFIC, INC. (US) 1997-10-21 US disclosed
WO-1996040104-A1 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE IONS, COMPOUNDS FHJ SCIENTIFIC, INC. (US) 1996-12-19 WO disclosed