SCHEMBL237431

SCHEMBL237431

C=C(C)C(=O)OCC(C)C(O[SiH3])(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
ELANE P08246 1/20 0.35
CHRM3 P20309 2/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
KCNH2 Q12809 3/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
MRGPRX2 Q96LB1 1/20 0.33
HRH2 P25021 1/20 0.33
HTR2A P28223 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRK1 P41145 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
CYP2D6 P10635 2/20 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
SCHEMBL237884 0.81 TSHR (0.45) TSHRCHRM3POLBHTTCHRM2
SCHEMBL238398 0.74 ELANE (0.38) TSHRELANECHRM3POLBAPEX1
SCHEMBL237188 0.73 TSHR (0.56) TSHRALDH1A1
SCHEMBL234086 0.72 POLB (0.41) TSHRELANECHRM3POLBAPEX1
SCHEMBL296808 0.72 TSHR (0.55) TSHRELANEPOLBAPEX1HTT
SCHEMBL10895273 0.72 THRB (0.39) TSHRELANECHRM3POLBAPEX1
SCHEMBL8850991 0.71 TSHR (0.42) TSHRELANECHRM3POLBAPEX1
SCHEMBL714605 0.71 TSHR (0.58) TSHRELANEPOLBAPEX1HTT
SCHEMBL3180135 0.71 TSHR (0.53) TSHRELANECHRM3POLBAPEX1
SCHEMBL28787654 0.71 POLB (0.40) TSHRELANECHRM3POLBAPEX1

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