SCHEMBL17880792

SCHEMBL17880792

CC(COC(=O)c1ccccc1)OCOc1ccccc1C(=O)OC(C)C(OC=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.37
ADRB1 P08588 4/20 0.37
ADRB3 P13945 4/20 0.37
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
PARP1 P09874 1/20 0.34
ABCB1 P08183 1/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KCNA3 P22001 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL9604642 0.86 ALDH1A1 (0.44) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL5021073 0.78 ALDH1A1 (0.47) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL5021075 0.77 ADRB2 (0.39) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL26338822 0.73 KMT2A (0.40) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL15723499 0.73 ADRB1 (0.41) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL5021051 0.73 ALDH1A1 (0.40) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL14959377 0.71 ALDH1A1 (0.46) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL17466191 0.70 ALDH1A1 (0.44) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL17466189 0.70 ALDH1A1 (0.44) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL14947114 0.69 ALDH1A1 (0.62) ADRB2ADRB1ADRB3ALDH1A1TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160187553-A1 METHOD OF MANUFACTURING POLARIZING PLATE, POLARIZING PLATE MANUFACTURED USING THE METHOD, AND LIQUID CRYSTAL DISPLAY DEVICE KONICA MINOLTA INC (JP) 2016-06-30 US disclosed