SCHEMBL716181

SCHEMBL716181

C=C(C)C(=O)OCCN.C=CC(=O)OCCc1ccccc1O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.44
AKR1B10 O60218 2/20 0.43
AKR1B1 P15121 2/20 0.43
THRB P10828 4/20 0.42
TAAR1 Q96RJ0 1/20 0.40
ALOX5 P09917 4/20 0.36
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 1/20 0.35
THRA P10827 1/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL31744950 0.85 TYR (0.54) TYRAKR1B10AKR1B1THRBTAAR1
SCHEMBL716321 0.85 TYR (0.54) TYRAKR1B10AKR1B1THRBTAAR1
SCHEMBL30775445 0.83 THRB (0.57) TYRAKR1B10AKR1B1THRBTAAR1
SCHEMBL961984 0.83 THRB (0.57) TYRAKR1B10AKR1B1THRBTAAR1
SCHEMBL4354447 0.77 THRB (0.54) AKR1B10AKR1B1THRBALOX5TSHR
SCHEMBL716183 0.77 THRB (0.33) THRBTSHRPOLBAPEX1HTT
SCHEMBL27539720 0.76 THRB (0.45) TYRTHRBTSHRALDH1A1POLB
SCHEMBL27530889 0.76 THRB (0.54) TYRAKR1B10AKR1B1THRBTAAR1
Dopamine SCHEMBL23210259 0.75 MAPK1 (0.50) TAAR1TSHRALDH1A1TP53HIF1A
SCHEMBL31033071 0.75 TSHR (0.51) THRBTSHRALDH1A1TP53HIF1A

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-20120053287-A1 RESIN COMPOSITION FOR INSULATING LAYER SUMITOMO CHEMICAL COMPANY, LTD (JP) 2012-03-01 US disclosed