SCHEMBL10477306

SCHEMBL10477306

C=C(C)C(=O)OCCCCCC.C=C(C)C(=O)OCCCO.C=COC(C)=O

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.69
THRB P10828 1/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ACHE P22303 6/20 0.40
NAAA Q02083 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.39
HCAR2 Q8TDS4 2/20 0.39
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EPHX1 P07099 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
SCHEMBL28471522 0.96 TSHR (0.75) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28149809 0.96 TSHR (0.75) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11525707 0.96 TSHR (0.75) TSHRTHRBPOLBAPEX1HTT
Acrylic Acid SCHEMBL4579288 0.90 TSHR (0.67) TSHRTHRBPOLBAPEX1HTT
SCHEMBL6744183 0.90 TSHR (0.64) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4410570 0.89 TSHR (0.86) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4578511 0.89 TSHR (0.65) TSHRTHRBPOLBAPEX1HTT
Butyl Alcohol SCHEMBL17472918 0.86 TSHR (0.86) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11828985 0.86 TSHR (0.86) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5067997 0.86 TSHR (0.86) TSHRTHRBPOLBAPEX1HTT

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
US-4873166-A Liquid developer for electrophotography MITSUBISHI PAPER MILLS, LTD. (JP) 1989-10-10 US disclosed