SCHEMBL28875644

SCHEMBL28875644

CC(=O)OCC[S+]([O-])c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 7/20 0.34
HSD17B10 Q99714 2/20 0.33
DHODH Q02127 1/20 0.33
RAD52 P43351 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GALR3 O60755 1/20 0.33
TSHR P16473 2/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL28763974 0.85 ALDH1A1 (0.46) LMNAALDH1A1HSD17B10RAD52SMN1; SMN2
P-Xylene SCHEMBL11399447 0.78 LMNA (0.54) LMNAL3MBTL1ALDH1A1HSD17B10RAD52
SCHEMBL6914520 0.77 KMT2A (0.35) LMNAL3MBTL1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL19454527 0.77 ALDH1A1 (0.37) LMNAALDH1A1HSD17B10SMN1; SMN2TDP1
SCHEMBL20906472 0.75 ACHE (0.42) LMNAALDH1A1HSD17B10TDP1TSHR
SCHEMBL20921311 0.75 ACHE (0.42) LMNAALDH1A1HSD17B10TDP1TSHR
SCHEMBL11219851 0.75 HTT (0.40) LMNAL3MBTL1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL11375556 0.74 KMT2A (0.47) L3MBTL1ALDH1A1HSD17B10SMN1; SMN2KMT2A
SCHEMBL254515 0.73 ALDH1A1 (0.37) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
P-Xylene SCHEMBL8770845 0.72 LMNA (0.48) LMNAL3MBTL1ALDH1A1HSD17B10RAD52

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-110041236-A The synthetic method of thio-ether type compounds 天津师范大学 2019-07-23 CN disclosed