SCHEMBL28619491

SCHEMBL28619491

C=CCOCCOCCOCCOCCOOC(=O)CC

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 4/20 0.35
ALDH1A1 P00352 3/20 0.34
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 1/20 0.30

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
SCHEMBL28606389 0.90 MEN1 (0.37) MEN1POLBKMT2ATDP1TSHR
SCHEMBL30083352 0.81
SCHEMBL1903682 0.79 NAAA (0.44) MEN1POLBKMT2ATDP1TSHR
SCHEMBL8673718 0.78 NAAA (0.41) KMT2ATDP1TSHRALDH1A1HIF1A
SCHEMBL20436950 0.77 CA2 (0.32) TSHRALDH1A1
SCHEMBL26135611 0.76 NAAA (0.31) ALDH1A1
Acetic Acid SCHEMBL10582703 0.74 MEN1 (0.43) MEN1POLBKMT2ATDP1TSHR
Bicarbonate SCHEMBL270124 0.74 ALDH1A1 (0.46) MEN1POLBKMT2ATDP1TSHR
Bicarbonate SCHEMBL28339996 0.74 ALDH1A1 (0.46) MEN1POLBKMT2ATDP1TSHR
Bicarbonate SCHEMBL347346 0.74 ALDH1A1 (0.46) MEN1POLBKMT2ATDP1TSHR

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
CN-113248953-A Photoconversion curable composition, cured film, quantum dot light-emitting diode, and image display device 东友精细化工有限公司 2021-08-13 CN disclosed