SCHEMBL10464447

SCHEMBL10464447

C=C(C)C(OC(=O)COc1ccc(Cl)cc1Cl)C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.55
ALDH1A1 P00352 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAPT P10636 2/20 0.55
TSHR P16473 2/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.46
RECQL P46063 1/20 0.46
ESR1 P03372 1/20 0.46
POLB P06746 1/20 0.46
ESR2 Q92731 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL10463239 0.91 ESR1 (0.57) TDP1ALDH1A1MAPTTSHRMAPK1
SCHEMBL10463466 0.91 TDP1 (0.55) TDP1ALDH1A1L3MBTL1MAPTTSHR
SCHEMBL10464445 0.89 TDP1 (0.51) TDP1ALDH1A1L3MBTL1MAPTTSHR
SCHEMBL10463227 0.89 TDP1 (0.53) TDP1ALDH1A1L3MBTL1MAPTTSHR
SCHEMBL10463437 0.87 TDP1 (0.54) TDP1ALDH1A1L3MBTL1MAPTTSHR
SCHEMBL10463436 0.87 TDP1 (0.54) TDP1ALDH1A1L3MBTL1MAPTTSHR
SCHEMBL10463975 0.87 TDP1 (0.64) TDP1ALDH1A1L3MBTL1MAPTTSHR
SCHEMBL10462798 0.87 MAPT (0.53) TDP1ALDH1A1L3MBTL1MAPTTSHR
SCHEMBL10464484 0.87 TDP1 (0.56) TDP1ALDH1A1L3MBTL1MAPTTSHR
SCHEMBL10461412 0.87 ALDH1A1 (0.51) TDP1ALDH1A1L3MBTL1MAPTTSHR

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
US-4902334-A HERBICIDES TEIJIN LIMITED (JP) 1990-02-20 US disclosed
EP-0149034-A2 Regulation of plant metalbolism by alpha,beta- or beta,gamma-unsaturated carboxylic acids or derivatives thereof TEIJIN LIMITED (JP) 1985-07-24 EP disclosed