SCHEMBL593136

SCHEMBL593136

CCN(CC(=O)O)C(C)O.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.37
PGR P06401 1/20 0.37
ADRA2B P18089 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
KCNH2 Q12809 1/20 0.37
TDP1 Q9NUW8 2/20 0.33
FFAR3 O14843 1/20 0.33
EYA2 O00167 1/20 0.33
APP P05067 1/20 0.33
ACE P12821 1/20 0.33
FDPS P14324 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CHRM2 P08172 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL593204 0.98 ADRA2A (0.38) ADRA2APGRADRA2BHTR2AHRH1
SCHEMBL1470203 0.88 TDP1 (0.38) ADRA2ATDP1FFAR3EYA2APP
SCHEMBL124790 0.85 TDP1 (0.39) ADRA2ATDP1FFAR3EYA2APP
SCHEMBL10888561 0.83 TDP1 (0.38) ADRA2ATDP1FFAR3EYA2APP
SCHEMBL10894055 0.83 TDP1 (0.38) ADRA2ATDP1FFAR3EYA2APP
SCHEMBL9751811 0.83 TDP1 (0.38) ADRA2ATDP1FFAR3EYA2APP
SCHEMBL10891571 0.83 TDP1 (0.38) ADRA2ATDP1FFAR3EYA2APP
Ammonia Solution, Strong SCHEMBL1766185 0.83 TDP1 (0.38) ADRA2ATDP1FFAR3EYA2APP
Water SCHEMBL7849420 0.83 TDP1 (0.38) ADRA2ATDP1FFAR3EYA2APP
SCHEMBL10887276 0.83 TDP1 (0.38) ADRA2ATDP1EYA2APPACE

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-2287268-B1 Anti-adhesion agent composition for asphalt NOF CORP (JP) 2012-10-10 EP disclosed
US-8114930-B2 Anti-adhesion agent composition for asphalt NOF CORPORATION (JP) 2012-02-14 US disclosed
US-20110046282-A1 ANTI-ADHESION AGENT COMPOSITION FOR ASPHALT NOF CORPORATION 2011-02-24 US disclosed
EP-2287268-A2 Anti-adhesion agent composition for asphalt NOF Corporation (JP) 2011-02-23 EP disclosed