SCHEMBL29233223

SCHEMBL29233223

CC(CC=O)COCCO

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL25656908 0.79 TSHR (0.50) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL15355016 0.78 TSHR (0.39) TSHRHSD17B10
SCHEMBL14218261 0.78 TSHR (0.39) TSHRHSD17B10
SCHEMBL11364949 0.78 TSHR (0.39) TSHRHSD17B10
SCHEMBL7999276 0.77 TSHR (0.47) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL12724500 0.76 USP2 (0.43) TSHR
SCHEMBL12724513 0.76 USP2 (0.43) TSHR
SCHEMBL12724498 0.76 USP2 (0.43) TSHR
SCHEMBL21602988 0.76
SCHEMBL6984510 0.75

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-117323312-B Composite material and preparation method and application thereof 上海交通大学医学院附属第九人民医院 2024-06-14 CN disclosed