SCHEMBL237885

SCHEMBL237885

C=CC(=O)OC[SiH2]OCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
CYP2C19 P33261 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
TSHR P16473 5/20 0.35
ALDH1A1 P00352 3/20 0.35
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CNR1 P21554 2/20 0.35
EPHX2 P34913 1/20 0.35
CNR2 P34972 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
PKM P14618 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
SCHEMBL238596 0.87 THRB (0.44) THRBCYP2C19TSHRALDH1A1TP53
SCHEMBL10526001 0.85 THRB (0.47) THRBCYP2C19MTNR1AMTNR1BTSHR
SCHEMBL24709495 0.83 THRB (0.60) THRBCYP2C19MTNR1AMTNR1BTSHR
SCHEMBL237895 0.79 THRB (0.45) THRBCYP2C19TSHRALDH1A1TP53
SCHEMBL15901529 0.79 THRB (0.55) THRBCYP2C19MTNR1AMTNR1BTSHR
SCHEMBL237432 0.79 MTNR1A (0.41) THRBMTNR1AMTNR1BTSHRALDH1A1
SCHEMBL3169558 0.75 THRB (0.53) THRBCYP2C19TSHRALDH1A1TP53
SCHEMBL10524732 0.74 THRB (0.47) THRBCYP2C19TSHRALDH1A1TP53
SCHEMBL10526049 0.74 HCAR2 (0.35) THRBMTNR1AMTNR1BALDH1A1CHRNB2
SCHEMBL1047065 0.73 THRB (0.55) THRBCYP2C19TSHRALDH1A1TP53

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