SCHEMBL238398

SCHEMBL238398

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.38
POLB P06746 2/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 5/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 4/20 0.35
HIF1A Q16665 2/20 0.34
KCNN4 O15554 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK1 P28482 1/20 0.33
THRB P10828 1/20 0.33
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CES1 P23141 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL234086 0.85 POLB (0.41) ELANEPOLBAPEX1HTTTDP1
SCHEMBL15404816 0.83 TDP1 (0.45) ELANEPOLBAPEX1HTTTDP1
SCHEMBL93140 0.82 ELANE (0.36) ELANEPOLBAPEX1HTTTDP1
SCHEMBL93142 0.81 SMN1; SMN2 (0.36) ELANEPOLBAPEX1HTTTDP1
SCHEMBL8850502 0.81 ELANE (0.41) ELANEPOLBAPEX1HTTTDP1
SCHEMBL19820877 0.80 GRIN2D (0.41) ELANEPOLBAPEX1HTTTDP1
SCHEMBL8850852 0.80 HIF1A (0.49) ELANEPOLBAPEX1HTTTDP1
SCHEMBL28967705 0.80 KCNN4 (0.41) ELANEPOLBAPEX1HTTTDP1
SCHEMBL27612149 0.80 HIF1A (0.41) ELANEPOLBAPEX1HTTTDP1
SCHEMBL18051630 0.78 CYP2C19 (0.40) ELANEPOLBAPEX1HTTTDP1

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