SCHEMBL238593

SCHEMBL238593

C=CC(=O)OC[Si](OCC)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.44
TSHR P16473 5/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
THRA P10827 1/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
GSTO1 P78417 4/20 0.34
MAPK1 P28482 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL237882 0.89 THRB (0.46) THRBTSHRHPGDTHRAALDH1A1
SCHEMBL237184 0.85 THRB (0.44) THRBTSHRHPGDMEN1KMT2A
SCHEMBL237893 0.85 THRB (0.46) THRBTSHRHPGDKMT2ATHRA
SCHEMBL8668333 0.83 THRB (0.47) THRBTSHRHPGDMEN1KMT2A
SCHEMBL234085 0.79 ALDH1A1 (0.41) THRBTSHRHPGDMEN1KMT2A
SCHEMBL1716988 0.78 THRB (0.49) THRBTSHRHPGDMEN1KMT2A
SCHEMBL9411565 0.78 THRB (0.49) THRBTSHRHPGDMEN1KMT2A
SCHEMBL24278421 0.78 THRB (0.51) THRBTSHRHPGDTHRAMAPT
SCHEMBL1066824 0.77 THRB (0.49) THRBTSHRHPGDMEN1KMT2A
SCHEMBL28657837 0.77 THRB (0.52) THRBTSHRHPGDMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745406-B2 Curable composition CEMEDINE CO., LTD. (JP) 2017-08-29 US disclosed
EP-2412756-B1 CURABLE COMPOSITION CEMEDINE CO LTD (JP) 2016-12-21 EP disclosed
EP-2412756-A1 CURABLE COMPOSITION CEMEDINE CO., LTD. (JP) 2012-02-01 EP disclosed
US-20120004371-A1 CURABLE COMPOSITION CEMEDINE CO., LTD. (JP) 2012-01-05 US disclosed