SCHEMBL7092835

SCHEMBL7092835

C=C(C)C(=O)OCC.C=C(C)C(=O)OCCOC(=O)C(=C)C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.76
TSHR P16473 5/20 0.61
ALDH1A1 P00352 8/20 0.48
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GLO1 Q04760 1/20 0.45
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
ALOX15 P16050 1/20 0.39
SOAT1 P35610 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL3265039 0.98 THRB (0.73) THRBTSHRALDH1A1LMNAHSD17B10
SCHEMBL10868848 0.95
SCHEMBL17973524 0.94 THRB (0.68) THRBTSHRALDH1A1LMNAHSD17B10
SCHEMBL19409375 0.93 THRB (0.64) THRBTSHRALDH1A1LMNAHSD17B10
SCHEMBL15030 0.93
Ethyl Acetate SCHEMBL28232168 0.91 THRB (0.70) THRBTSHRALDH1A1LMNAHSD17B10
SCHEMBL1001162 0.91 THRB (0.64) THRBTSHRALDH1A1LMNAHSD17B10
Charcoal, Activated SCHEMBL7592908 0.90
Ethylene SCHEMBL340677 0.90 THRB (0.61) THRBTSHRALDH1A1LMNAHSD17B10
Ammonia Solution, Strong SCHEMBL2598325 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6604819-B2 Ink jet image recording method FUJI PHOTO FILM CO., LTD. (JP) 2003-08-12 US disclosed
US-6543888-B2 Ink-jet image recording method FUJI PHOTO FILM CO., LTD. (JP) 2003-04-08 US disclosed