SCHEMBL28996282

SCHEMBL28996282

CC(C)=C(C)C(=O)OCCCCCCCCCCCCCCCCCCCCOCCOC(=O)C(C)=C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.44
THRB P10828 2/20 0.41
CES2 O00748 1/20 0.38
ALDH1A1 P00352 5/20 0.38
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
NAAA Q02083 1/20 0.35
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
CYP3A4 P08684 1/20 0.33
EPHX1 P07099 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ACHE P22303 2/20 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
SCHEMBL28996313 1.00 TSHR (0.44) TSHRTHRBCES2ALDH1A1HTT
SCHEMBL11755056 0.82 TSHR (0.66) TSHRCES2ALDH1A1NAAARAD52
SCHEMBL4428712 0.82 TSHR (0.46) TSHRALDH1A1HTTNAAARAD52
SCHEMBL3238710 0.82 TSHR (0.46) TSHRALDH1A1HTTNAAARAD52
SCHEMBL976432 0.82 MEN1 (0.46) TSHRTHRBALDH1A1HTTMEN1
SCHEMBL859749 0.82 TSHR (0.66) TSHRCES2ALDH1A1NAAARAD52
SCHEMBL2017635 0.82 MEN1 (0.46) TSHRTHRBALDH1A1HTTMEN1
SCHEMBL21599119 0.82 TSHR (0.66) TSHRCES2ALDH1A1NAAARAD52
SCHEMBL859851 0.82 THRB (0.42) TSHRTHRBALDH1A1KMT2AMAPT
SCHEMBL29117622 0.82 TSHR (0.66) TSHRCES2ALDH1A1NAAARAD52

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-112634766-B Pixel substrate with quantum dots and manufacturing method thereof 恒煦电子材料国际有限公司 2023-04-07 CN disclosed