SCHEMBL29703196

SCHEMBL29703196

CCCCOC(=O)N(CC(C)C)C(=S)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
ATM Q13315 1/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 3/20 0.34
HPGD P15428 2/20 0.34
HCAR2 Q8TDS4 1/20 0.33
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ESR1 P03372 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
NAAA Q02083 1/20 0.32
MMP3 P08254 1/20 0.32
MAPK1 P28482 2/20 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
SCHEMBL30725960 0.87 ALDH1A1 (0.33) ALDH1A1MAPTHPGDCA12CA1
SCHEMBL31053753 0.80 NAAA (0.40) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL8899728 0.74 ALDH1A1 (0.45) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL3956626 0.72 ALDH1A1 (0.44) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL30272078 0.71 CA12 (0.39) ATMMAPTCA12CA1CA2
SCHEMBL14860204 0.69 ALDH1A1 (0.44) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL27792925 0.69 ALDH1A1 (0.44) ALDH1A1ATMMAPTNPSR1TSHR
SCHEMBL28904979 0.68 ALDH1A1 (0.42) ALDH1A1ATMMAPTNPSR1TSHR
SCHEMBL9014963 0.68 ALDH1A1 (0.39) ALDH1A1ATMNPSR1TSHRHPGD
SCHEMBL21522905 0.68 NAAA (0.37) ALDH1A1ATMMAPTNPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115739399-B Composite collector for flotation of nonferrous metal sulfide ores and preparation method and application thereof 沈阳有色金属研究院有限公司 2024-10-01 CN disclosed
CN-112337652-B Collecting agent for flotation of copper sulfide from copper oxide ore and application 沈阳有色金属研究院有限公司 2022-06-03 CN disclosed
CN-112337652-B Collecting agent for flotation of copper sulfide from copper oxide ore and application 沈阳有色金属研究院有限公司 2022-06-03 CN disclosed