SCHEMBL8190352

SCHEMBL8190352

C=C(C)OC(=O)CCC(=O)OC(=C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.55
HSD17B10 Q99714 2/20 0.55
ALDH1A1 P00352 6/20 0.46
TSHR P16473 4/20 0.43
ADRA2A P08913 1/20 0.33
ADRA1A P35348 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
MAPT P10636 2/20 0.32
BLM P54132 1/20 0.32
KDM6B O15054 1/20 0.32
KDM5C P41229 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 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
SCHEMBL13386066 0.90 PHF8 (0.46) TDP1HSD17B10ALDH1A1TSHRKDM6B
SCHEMBL5453102 0.89 HSD17B10 (0.50) TDP1HSD17B10ALDH1A1TSHRMAPT
SCHEMBL9174400 0.87 HSD17B10 (0.48) TDP1HSD17B10ALDH1A1TSHRMAPT
SCHEMBL12328993 0.87
SCHEMBL11352110 0.87 HSD17B10 (0.48) TDP1HSD17B10ALDH1A1TSHRMAPT
SCHEMBL1047149 0.87
SCHEMBL13663473 0.85
SCHEMBL17527556 0.85
SCHEMBL14293892 0.85
SCHEMBL1136367 0.83 ALDH1A1 (0.48) TDP1HSD17B10ALDH1A1TSHRMAPT

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-6117960-A CONTAINING AN UNSATURATED SULFONATE WACKER-CHEMIE GMBH (DE) 2000-09-12 US disclosed