SCHEMBL238595

SCHEMBL238595

C=CC(=O)OCCC(O[SiH3])(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.51
TSHR P16473 7/20 0.40
ALDH1A1 P00352 6/20 0.40
TP53 P04637 3/20 0.40
HIF1A Q16665 3/20 0.40
CYP3A4 P08684 3/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.37
AKR1B10 O60218 4/20 0.36
AKR1B1 P15121 4/20 0.36
HTT P42858 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAOB P27338 1/20 0.33
AKT1 P31749 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 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
SCHEMBL15405611 0.92 THRB (0.49) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL237894 0.85 THRB (0.46) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL234086 0.78 POLB (0.41) THRBTSHRALDH1A1CYP3A4HSD17B10
SCHEMBL7161569 0.78 THRB (0.47) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL4661261 0.77 THRB (0.51) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL28115369 0.77 THRB (0.51) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL17287246 0.76 THRB (0.54) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL29008219 0.76 THRB (0.54) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL6537025 0.75 THRB (0.54) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL15404814 0.75 AKR1B10 (0.40) ALDH1A1AKR1B10AKR1B1HCAR2KDM4E

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