SCHEMBL28048731

SCHEMBL28048731

C=CCC(N)=CCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CYP2D6 P10635 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 2/20 0.33
FGFR4 P22455 1/20 0.33
ABCC4 O15439 1/20 0.32
MAPT P10636 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
BLM P54132 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MEN1 O00255 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 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
Urea SCHEMBL11879610 0.79 ALDH1A1 (0.45) ALDH1A1CYP2D6ALOX15TSHRFGFR4
SCHEMBL10554896 0.76 ALDH1A1 (0.53) ALDH1A1CYP2D6ALOX15TSHRFGFR4
Hydrogen Peroxide SCHEMBL27498555 0.76
SCHEMBL23108 0.76
SCHEMBL9335555 0.76 ALDH1A1 (0.53) ALDH1A1CYP2D6ALOX15TSHRFGFR4
SCHEMBL10553508 0.76 ALDH1A1 (0.53) ALDH1A1CYP2D6ALOX15TSHRFGFR4
Acetic Acid SCHEMBL19991791 0.76 GABRR1 (0.35) ALDH1A1
SCHEMBL10634272 0.75 ALDH1A1 (0.41) ALDH1A1CYP2D6ALOX15TSHRFGFR4
Acrylamide SCHEMBL7868863 0.75 ALDH1A1 (0.58) ALDH1A1CYP2D6ALOX15TSHRFGFR4
SCHEMBL26462172 0.75

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
CN-105377855-B Method and device for synthesizing dihydroartemisinin and artemisinin derivative 马普科技促进协会 2018-04-10 CN disclosed
CN-105377855-A Method and device for synthesizing dihydroartemisinin and artemisinin derivative MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WSS E V 2016-03-02 CN disclosed