SCHEMBL28222909

SCHEMBL28222909

C=C(C(=O)OCC)C(Cl)=CCl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 2/20 0.39
GLO1 Q04760 1/20 0.39
CYP2D6 P10635 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CASP1 P29466 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
THRB P10828 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
CYP2C9 P11712 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
SCHEMBL3192124 0.83
SCHEMBL3192121 0.83
SCHEMBL10970767 0.79 ALDH1A1 (0.48) ALDH1A1MAPTTSHRNPSR1GLO1
SCHEMBL28105201 0.79 ALDH1A1 (0.48) ALDH1A1MAPTTSHRNPSR1GLO1
SCHEMBL28293945 0.78 ALDH1A1 (0.56) ALDH1A1MAPTTSHRNPSR1GLO1
SCHEMBL13269637 0.78 ALDH1A1 (0.56) ALDH1A1MAPTTSHRNPSR1GLO1
SCHEMBL79588 0.78 ALDH1A1 (0.56) ALDH1A1MAPTTSHRNPSR1GLO1
Ammonia Solution, Strong SCHEMBL28294025 0.75 ALDH1A1 (0.54) ALDH1A1MAPTTSHRNPSR1GLO1
SCHEMBL28099320 0.75 ALDH1A1 (0.54) ALDH1A1MAPTTSHRNPSR1GLO1
SCHEMBL395607 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108148112-A Glycopeptide enrichment method based on amphiphilic porous core-shell microspheres 中国科学院理化技术研究所 2018-06-12 CN claimed