SCHEMBL8919608

SCHEMBL8919608

CCOCCOCCOC(=O)CCOC=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TSHR P16473 3/20 0.47
THRB P10828 1/20 0.42
DGKA P23743 1/20 0.40
EPHX2 P34913 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
ADRA2A P08913 1/20 0.34
ADRA1A P35348 1/20 0.34
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
CYP1A2 P05177 1/20 0.32
THRA P10827 1/20 0.31
DNM1 Q05193 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31

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
SCHEMBL8918949 0.98 ALDH1A1 (0.48) ALDH1A1TSHRTHRBDGKAEPHX2
SCHEMBL8919700 0.86 DGKA (0.36) ALDH1A1TSHRDGKAEPHX2HSD17B10
SCHEMBL8919017 0.84 ALDH1A1 (0.48) ALDH1A1TSHRTHRBDGKAEPHX2
SCHEMBL1100388 0.83 CYP1A2 (0.47) ALDH1A1TSHRDGKAHSD17B10CYP1A2
SCHEMBL2303872 0.82 ALDH1A1 (0.60) ALDH1A1TSHRTHRBDGKAEPHX2
SCHEMBL3879046 0.82 ALDH1A1 (0.60) ALDH1A1TSHRTHRBDGKAEPHX2
SCHEMBL8920157 0.81 ALDH1A1 (0.50) ALDH1A1TSHRTHRBDGKAEPHX2
SCHEMBL8624013 0.81 DGKA (0.45) ALDH1A1TSHRTHRBDGKAADRA2A
SCHEMBL4818015 0.80 ALDH1A1 (0.56) ALDH1A1TSHRTHRBDGKAEPHX2
SCHEMBL1301905 0.80 ALDH1A1 (0.62) 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