SCHEMBL8918469

SCHEMBL8918469

COCCOCCOC(=O)COC=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.35
ALDH1A1 P00352 3/20 0.35
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ABCB11 O95342 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2B P18089 1/20 0.33
OPRD1 P41143 1/20 0.33
SCN5A Q14524 1/20 0.33
TDP1 Q9NUW8 1/20 0.30
CA2 P00918 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
SCHEMBL8918103 0.94 TSHR (0.37) TSHR
SCHEMBL8919017 0.85 ALDH1A1 (0.48) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8919700 0.84 DGKA (0.36) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8920157 0.83 ALDH1A1 (0.50) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL13313904 0.82 TSHR (0.39) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9275566 0.80 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8918614 0.80 TSHR (0.31) TSHR
SCHEMBL8919238 0.79
SCHEMBL12050130 0.78 TSHR (0.42) TSHRALDH1A1ABCB11CYP3A4ADRA2B
SCHEMBL2610085 0.78 TSHR (0.39) TSHRALDH1A1TP53HIF1AHSD17B10

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