SCHEMBL11025670

SCHEMBL11025670

COC(=O)CC(/C=C/COC(C)=O)OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL11025671 1.00 TDP1 (0.32) TDP1MGAMGAASIMGAM2
SCHEMBL10953133 0.81 ALDH1A1 (0.38) TDP1ALDH1A1ALOX15
SCHEMBL10953136 0.81 ALDH1A1 (0.38) TDP1ALDH1A1ALOX15
SCHEMBL11024070 0.77 TSHR (0.35) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11024067 0.77 TSHR (0.35) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11121713 0.75 MGAM (0.32) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11121711 0.75 MGAM (0.32) MGAMGAASIMGAM2ALDH1A1
SCHEMBL10953596 0.74 ALDH1A1 (0.40) ALDH1A1
SCHEMBL10953598 0.74 ALDH1A1 (0.40) ALDH1A1
SCHEMBL10828046 0.73 TDP1 (0.38) TDP1ALDH1A1ALOX15

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
US-4529814-A Acyloxyalkadienoates and their preparation BASF AKTIENGESELLSCHAFT (DE) 1985-07-16 US disclosed