SCHEMBL237432

SCHEMBL237432

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CACNA1B Q00975 1/20 0.37
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
TSHR P16473 1/20 0.36
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
ELANE P08246 1/20 0.35

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
SCHEMBL234087 0.87 TSHR (0.40) MTNR1AMTNR1BPOLBAPEX1HTT
SCHEMBL235139 0.84 MTNR1A (0.49) MTNR1AMTNR1BPOLBAPEX1HTT
SCHEMBL238399 0.80 HPGD (0.38) MTNR1AMTNR1BPOLBAPEX1HTT
SCHEMBL15901492 0.80 TDP1 (0.50) MTNR1AMTNR1BPOLBAPEX1HTT
SCHEMBL237885 0.79 THRB (0.47) MTNR1AMTNR1BCACNA1BALDH1A1CHRNB2
SCHEMBL9337764 0.77 HPGD (0.40) MTNR1AMTNR1BPOLBAPEX1HTT
SCHEMBL3180135 0.76 TSHR (0.53) MTNR1AMTNR1BPOLBAPEX1HTT
SCHEMBL10526534 0.75 POLB (0.43) MTNR1AMTNR1BPOLBAPEX1HTT
SCHEMBL28588409 0.74 TSHR (0.50) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL13801021 0.74 HPGD (0.44) POLBAPEX1HTTTDP1HPGD

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