SCHEMBL8948346

SCHEMBL8948346

O=C(O)CN(C(O)CCO)C(O)CCO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
EYA2 O00167 1/20 0.35
APP P05067 1/20 0.35
ACE P12821 1/20 0.35
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL8998304 0.77 KDM4E (0.42) KDM4EALOX15
SCHEMBL8948437 0.73 FFAR3 (0.36) TDP1EYA2APPACEKDM4E
SCHEMBL8948341 0.67 TDP1 (0.39) TDP1EYA2APPACEKDM4E
SCHEMBL186528 0.67 TDP1 (0.39) TDP1EYA2APPACEKDM4E
SCHEMBL30414668 0.67 TDP1 (0.39) TDP1EYA2APPACEKDM4E
SCHEMBL15288287 0.66 THRB (0.38) THRB
SCHEMBL28606140 0.65 TDP1 (0.33) TDP1EYA2APPACEKDM4E
SCHEMBL31180470 0.65 TDP1 (0.33) TDP1EYA2APPACEKDM4E
SCHEMBL1322891 0.65 TDP1 (0.38) TDP1EYA2APPACEKDM4E
SCHEMBL6323102 0.65 TDP1 (0.38) TDP1EYA2APPACEKDM4E

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 5 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
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 claimed
US-5514808-A Hydroxyl ions as unique therapeutic agents and compounds that modulate these ions FHJ SCIENTIFIC, INC (US) 1996-05-07 US claimed
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 claimed
US-5514808-A Hydroxyl ions as unique therapeutic agents and compounds that modulate these ions FHJ SCIENTIFIC, INC (US) 1996-05-07 US disclosed