SCHEMBL8919715

SCHEMBL8919715

CCOCCOCCOC(=O)CO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
TSHR P16473 3/20 0.58
THRB P10828 1/20 0.50
DGKA P23743 1/20 0.39
EPHX2 P34913 1/20 0.38
HSD17B10 Q99714 2/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
TP53 P04637 2/20 0.37
HIF1A Q16665 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA1A P35348 1/20 0.37
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
TRPA1 O75762 1/20 0.34
NAAA Q02083 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL8919491 0.98 ALDH1A1 (0.60) ALDH1A1TSHRTHRBDGKAEPHX2
SCHEMBL3385884 0.88 TSHR (0.44) ALDH1A1TSHRTHRBDGKAEPHX2
SCHEMBL5411907 0.84 ALDH1A1 (0.60) ALDH1A1TSHRTHRBDGKAEPHX2
SCHEMBL3879046 0.84 ALDH1A1 (0.60) ALDH1A1TSHRTHRBDGKAEPHX2
SCHEMBL181390 0.84 ALDH1A1 (0.60) ALDH1A1TSHRTHRBDGKAEPHX2
SCHEMBL2303872 0.84 ALDH1A1 (0.60) ALDH1A1TSHRTHRBDGKAEPHX2
SCHEMBL28530946 0.83 TSHR (0.52) ALDH1A1TSHRTHRBDGKAEPHX2
SCHEMBL8918318 0.83 ALDH1A1 (0.54) ALDH1A1TSHRTHRBDGKAEPHX2
SCHEMBL8920675 0.82 TSHR (0.39) ALDH1A1TSHRTHRBDGKAHSD17B10
SCHEMBL17974553 0.82 ALDH1A1 (0.58) ALDH1A1TSHRTHRBDGKAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5620944-A PRE- AND POST-EMERGENT WEED CONTROL NIHON NOHYAKU CO., LTD. (JP) 1997-04-15 US disclosed
EP-0590834-B1 Phenylimidazole derivatives, processes for production thereof, herbicides comprising said derivatives, and usages of said herbicides NIHON NOHYAKU CO LTD (JP) 1996-12-11 EP disclosed
EP-0590834-A1 Phenylimidazole derivatives, processes for production thereof, herbicides comprising said derivatives, and usages of said herbicides NIHON NOHYAKU CO., LTD. (JP) 1994-04-06 EP disclosed