SCHEMBL716183

SCHEMBL716183

C=C(C)C(=O)OCCN.C=CC(=O)OC(C)c1ccccc1O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.33
TSHR P16473 4/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL1906054 0.82 GABRA1 (0.46) THRBTSHRPOLBGABRA1GABRB2
SCHEMBL716181 0.77 TYR (0.44) THRBTSHRPOLBAPEX1HTT
SCHEMBL716320 0.76 GABRA1 (0.46) THRBTSHRPOLBGABRA1GABRB2
Catechol SCHEMBL28258582 0.72 TGM2 (0.38) THRBTSHRPOLBAPEX1HTT
Phosphoric Acid SCHEMBL27613326 0.72 GABRA1 (0.41) TSHRPOLBHTTTDP1GABRA1
Hydrochloric Acid SCHEMBL27808634 0.71 THRB (0.37) THRBTSHRHTTHCAR2
SCHEMBL27829129 0.70 THRA (0.32) THRBHCAR2
SCHEMBL8038710 0.70 HCAR2 (0.41) THRBTSHRHCAR2
Acrylic Acid SCHEMBL22733735 0.69 THRB (0.47) THRBTSHRPOLBAPEX1HTT
Acrylamide SCHEMBL28009283 0.69 THRB (0.47) THRBTSHRPOLBAPEX1HTT

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