SCHEMBL8948210

SCHEMBL8948210

O=C(O)CN(CC(O)c1ccccc1)CC(O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 5/20 0.52
KDM4E B2RXH2 4/20 0.51
RET P07949 1/20 0.46
KDR P35968 1/20 0.46
LMNA P02545 3/20 0.45
BCAT2 O15382 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL11161096 0.96 AOC3 (0.52) AOC3KDM4ERETKDRLMNA
SCHEMBL17770622 0.84 HRH1 (0.48) KDM4ELMNAMAPK1
SCHEMBL8948285 0.84 KDM4E (0.48) AOC3KDM4ERETKDRLMNA
SCHEMBL10297493 0.83 AOC3 (0.63) AOC3KDM4ERETKDRLMNA
SCHEMBL9729386 0.83 AOC3 (0.63) AOC3KDM4ERETKDRLMNA
SCHEMBL453898 0.79 KDM4E (0.43) AOC3KDM4ELMNA
SCHEMBL22354562 0.78 AOC3 (0.57) AOC3KDM4ERETKDRLMNA
SCHEMBL14934223 0.78 KDM4E (0.37) AOC3KDM4ERETKDRLMNA
SCHEMBL14934230 0.76 PTGS2 (0.41) AOC3KDM4ERETKDRMEN1
SCHEMBL11420730 0.76 AOC3 (0.60) AOC3KDM4ERETKDRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5574050-A Hydroxyl ions as unique therapeutic agents and processes for preparing them FHJ SCIENTIFIC, INC. (US) 1996-11-12 US claimed
US-5585391-A Hydroxyl ions as unique therapeutic agents and compounds that modulate these ions, compositions employing these agents, therapeutic methods for using such agents and processes for preparing them FHJ SCIENTIFIC, INC. (US) 1996-12-17 US disclosed
US-5574050-A Hydroxyl ions as unique therapeutic agents and processes for preparing them FHJ SCIENTIFIC, INC. (US) 1996-11-12 US disclosed
EP-0725636-A1 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE THESE IONS, COMPOSITIONS EMPLOYING THESE AGENTS, THERAPEUTIC METHODS FOR USING SUCH AGENTS AND PROCESSES FOR PREPARING THEM FHJ SCIENTIFIC, INC. (US) 1996-08-14 EP disclosed
US-5514808-A Hydroxyl ions as unique therapeutic agents and compounds that modulate these ions FHJ SCIENTIFIC, INC (US) 1996-05-07 US disclosed
WO-1995010272-A1 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE THESE IONS, COMPOSITIONS EMPLOYING THESE AGENTS, THERAPEUTIC METHODS FOR USING SUCH AGENTS AND PROCESSES FOR PREPARING THEM FHJ SCIENTIFIC, INC. (US) 1995-04-20 WO disclosed