SCHEMBL8998280

SCHEMBL8998280

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
EYA2 O00167 1/20 0.36
APP P05067 1/20 0.36
ACE P12821 1/20 0.36
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2A P08913 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
CYP2C19 P33261 1/20 0.35
ADRA1A P35348 1/20 0.35
DRD3 P35462 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL16057464 0.85 TDP1 (0.36) TDP1EYA2APPACETP53
SCHEMBL186528 0.79 TDP1 (0.39) TDP1EYA2APPACETP53
SCHEMBL1322891 0.77 TDP1 (0.38) TDP1EYA2APPACETP53
SCHEMBL11295988 0.77 TDP1 (0.38) TDP1EYA2APPACETP53
SCHEMBL3901854 0.77 TDP1 (0.38) TDP1EYA2APPACETP53
Ammonia Solution, Strong SCHEMBL3916100 0.77 TDP1 (0.38) TDP1EYA2APPACETP53
SCHEMBL867976 0.76 TDP1 (0.41) TDP1EYA2APPACETP53
Hydrochloric Acid SCHEMBL5577032 0.74 TDP1 (0.39) TDP1EYA2APPACEKDM4E
SCHEMBL676800 0.72 GABRP (0.42) TDP1EYA2APPACEGABRP
SCHEMBL562830 0.72 FFAR3 (0.38) TDP1EYA2APPACETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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