SCHEMBL2521080

SCHEMBL2521080

C=CC(=C)C(C)(OC(=O)C=C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
THRB P10828 1/20 0.33
TSHR P16473 2/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL10716844 0.87 TSHR (0.35) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL16433325 0.74 TSHR (0.35) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL17792467 0.74 TSHR (0.35) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Hydrogen Peroxide SCHEMBL27482921 0.73 LMNA (0.38) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL9862196 0.73 TSHR (0.33) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL31091781 0.72 TSHR (0.34) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL28189986 0.72 TSHR (0.34) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL28082667 0.72 TSHR (0.38) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL28853858 0.72 TSHR (0.35) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL22442055 0.71 TSHR (0.33) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090053644-A1 CORE-SHELL POLYMER NANOPARTICLES AND METHOD FOR MAKING EMULSION AGGREGATION PARTICLES USING SAME XEROX CORPORATION (US) 2009-02-26 US claimed
US-8034527-B2 Core-shell polymer nanoparticles and method for making emulsion aggregation particles using same XEROX CORPORATION (US) 2011-10-11 US disclosed
US-20090053644-A1 CORE-SHELL POLYMER NANOPARTICLES AND METHOD FOR MAKING EMULSION AGGREGATION PARTICLES USING SAME XEROX CORPORATION (US) 2009-02-26 US disclosed