SCHEMBL28074352

SCHEMBL28074352

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

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.75
NAAA Q02083 1/20 0.47
THRB P10828 1/20 0.45
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HCAR2 Q8TDS4 2/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 2/20 0.39
CES2 O00748 1/20 0.39
HPGD P15428 1/20 0.39
FAAH O00519 1/20 0.37
LMNA P02545 1/20 0.37
ATM Q13315 1/20 0.37
ACHE P22303 2/20 0.37

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
SCHEMBL28889641 0.90 NAAA (0.57) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL2228694 0.90 NAAA (0.57) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL2228697 0.90 NAAA (0.57) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL28193116 0.88 TSHR (0.57) TSHRNAAATHRBPOLBAPEX1
Propene SCHEMBL28098866 0.87 TSHR (0.86) TSHRNAAATHRBPOLBAPEX1
SCHEMBL28194008 0.87 TSHR (0.86) TSHRNAAATHRBPOLBAPEX1
Acetaldehyde SCHEMBL28809791 0.87 TSHR (0.86) TSHRNAAATHRBPOLBAPEX1
SCHEMBL28957745 0.87 TSHR (0.86) TSHRNAAATHRBPOLBAPEX1
SCHEMBL11775454 0.87 TSHR (1.00) TSHRNAAATHRBPOLBAPEX1
SCHEMBL14995 0.87 TSHR (1.00) TSHRNAAATHRBPOLBAPEX1

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-105593017-A Antifogging multilayer film, laminate using same, and packaging material DAINIPPON INK & CHEMICALS 2016-05-18 CN disclosed