SCHEMBL238594

SCHEMBL238594

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.45
ALDH1A1 P00352 7/20 0.41
HIF1A Q16665 4/20 0.41
CYP3A4 P08684 4/20 0.41
TP53 P04637 3/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 6/20 0.38
HTT P42858 1/20 0.36
AKT1 P31749 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KMT2A Q03164 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
KCNN4 O15554 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
SCHEMBL237883 0.87 THRB (0.46) THRBALDH1A1HIF1ACYP3A4TP53
SCHEMBL8668335 0.85 THRB (0.47) THRBALDH1A1HIF1ACYP3A4TP53
SCHEMBL237894 0.80 THRB (0.46) THRBALDH1A1HIF1ACYP3A4TP53
SCHEMBL19846629 0.79 THRB (0.51) THRBALDH1A1HIF1ACYP3A4TP53
SCHEMBL1724042 0.76 THRB (0.49) THRBALDH1A1HIF1ACYP3A4TP53
SCHEMBL22195193 0.75 THRB (0.47) THRBALDH1A1HIF1ACYP3A4TP53
SCHEMBL18051656 0.75 THRB (0.47) THRBALDH1A1HIF1ACYP3A4TP53
SCHEMBL93346 0.75 THRB (0.44) THRBALDH1A1HIF1ACYP3A4TP53
SCHEMBL29008219 0.74 THRB (0.54) THRBALDH1A1HIF1ACYP3A4TP53
SCHEMBL29013474 0.74 THRB (0.46) 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