SCHEMBL1327708

SCHEMBL1327708

C=C(C)C(=O)OCCN(CC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
TSHR P16473 4/20 0.49
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.36
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
CYP2D6 P10635 2/20 0.31
MAOA P21397 2/20 0.31
HTR3A P46098 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
BLM P54132 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL27707440 0.87 THRB (0.52) THRBTSHRPOLBAPEX1HTT
SCHEMBL1326500 0.85 TSHR (0.57) THRBTSHRPOLBAPEX1HTT
SCHEMBL14127247 0.84 TSHR (0.51) THRBTSHRPOLBAPEX1HTT
SCHEMBL8982465 0.84 THRB (0.44) THRBTSHRPOLBAPEX1HTT
SCHEMBL4981730 0.84 THRB (0.49) THRBTSHRPOLBAPEX1HTT
SCHEMBL8146726 0.84 THRB (0.49) THRBTSHRPOLBAPEX1HTT
SCHEMBL4916565 0.83 THRB (0.51) THRBTSHRPOLBAPEX1HTT
SCHEMBL8917596 0.83 THRB (0.51) THRBTSHRPOLBAPEX1HTT
SCHEMBL1327196 0.82 TSHR (0.63) THRBTSHRPOLBAPEX1HTT
SCHEMBL17522087 0.81 THRB (0.46) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8319222-B2 Adhesive composition SONY CHEMICAL & INFORMATION DEVICE CORPORATION (JP) 2012-11-27 US disclosed
US-8221880-B2 Adhesive composition SONY CHEMICAL & INFORMATION DEVICE CORPORATION (JP) 2012-07-17 US disclosed
US-8187706-B2 2012-05-29 US disclosed
US-20110281119-A1 Adhesive composition SONY CHEMICAL & INFORMATION DEVICE CORPORATION (JP) 2011-11-17 US disclosed
US-20090280332-A1 Adhesive composition SONY CHEMICAL & INFORMATION DEVICE CORPORATION (JP) 2009-11-12 US disclosed