SCHEMBL28220069

SCHEMBL28220069

C=C(C)C(=O)OCCCCCCCCCCCC.C=CC(=O)OCCOc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.64
POLB P06746 1/20 0.56
APEX1 P27695 1/20 0.56
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TSHR P16473 5/20 0.55
HPGD P15428 1/20 0.47
FAAH O00519 6/20 0.45
TP53 P04637 1/20 0.44
LTA4H P09960 1/20 0.44
THRA P10827 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
PLA2G4B P0C869 1/20 0.43

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
SCHEMBL10706997 0.92 THRB (0.72) THRBPOLBAPEX1HTTTDP1
SCHEMBL3714892 0.92 THRB (0.76) THRBTSHRHPGDFAAHTP53
SCHEMBL7198333 0.91 THRB (0.78) THRBPOLBAPEX1HTTTDP1
Styrene SCHEMBL629079 0.90 THRB (0.60) THRBPOLBAPEX1HTTTDP1
Styrene SCHEMBL628046 0.90 THRB (0.60) THRBPOLBAPEX1HTTTDP1
SCHEMBL20787790 0.88 THRB (0.60) THRBPOLBAPEX1HTTTDP1
Benzophenone SCHEMBL14119598 0.87 THRB (0.56) THRBPOLBAPEX1HTTTDP1
Acrylic Acid Ethyl Ester SCHEMBL16053887 0.87 THRB (0.68) THRBPOLBAPEX1HTTTDP1
SCHEMBL28184128 0.86 THRB (0.57) THRBPOLBAPEX1HTTTDP1
SCHEMBL28869327 0.86 THRB (0.70) THRBPOLBAPEX1HTTTDP1

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
CN-108137753-A Acrylic polymer particles, method for producing same, ink composition, and coating composition 三菱化学株式会社 2018-06-08 CN disclosed