SCHEMBL237883

SCHEMBL237883

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.46
ALDH1A1 P00352 7/20 0.38
HIF1A Q16665 4/20 0.38
CYP3A4 P08684 4/20 0.38
TP53 P04637 3/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 7/20 0.36
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 2/20 0.33
AKR1B10 O60218 1/20 0.32
AKR1B1 P15121 1/20 0.32
HPGD P15428 1/20 0.32
AKT1 P31749 1/20 0.31
LMNA P02545 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31

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
SCHEMBL238594 0.87 THRB (0.45) THRBALDH1A1HIF1ACYP3A4TP53
SCHEMBL8668335 0.84 THRB (0.47) THRBALDH1A1HIF1ACYP3A4TP53
SCHEMBL237894 0.77 THRB (0.46) THRBALDH1A1HIF1ACYP3A4TP53
SCHEMBL29008219 0.77 THRB (0.54) THRBALDH1A1HIF1ACYP3A4TP53
SCHEMBL19846629 0.76 THRB (0.51) THRBALDH1A1HIF1ACYP3A4TP53
SCHEMBL238595 0.74 THRB (0.51) THRBALDH1A1HIF1ACYP3A4TP53
SCHEMBL1724042 0.73 THRB (0.49) THRBALDH1A1HIF1ACYP3A4TP53
SCHEMBL15405611 0.72 THRB (0.49) THRBALDH1A1HIF1ACYP3A4TP53
SCHEMBL22195193 0.72 THRB (0.47) THRBALDH1A1HIF1ACYP3A4TP53
SCHEMBL18051656 0.72 THRB (0.47) THRBALDH1A1HIF1ACYP3A4TP53

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