SCHEMBL28856472

SCHEMBL28856472

CCc1ccccc1SC(=S)S

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.45
▸ GABRA1 P14867 3/20 0.39
▸ GABRB2 P47870 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.36
▸ KMT2A Q03164 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ MGLL Q99685 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 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
SCHEMBL1080945 0.81 ACHE (0.45) ACHEGABRA1GABRB2ALDH1A1GAA
SCHEMBL28856465 0.81 ACHE (0.45) ACHEGABRA1GABRB2ALDH1A1GAA
SCHEMBL2130135 0.79 ACHE (0.44) ACHEGABRA1GABRB2ALDH1A1GAA
SCHEMBL29004554 0.79 ACHE (0.44) ACHEGABRA1GABRB2ALDH1A1GAA
SCHEMBL27265426 0.79 ACHE (0.44) ACHEGABRA1GABRB2ALDH1A1GAA
SCHEMBL9124737 0.79 ACHE (0.44) ACHEGABRA1GABRB2ALDH1A1GAA
SCHEMBL11844110 0.79 APOBEC3G (0.32) MAPTAPOBEC3GKMT2ACA12CA1
SCHEMBL4184972 0.78 ACHE (0.43) ACHEGABRA1GABRB2ALDH1A1GAA
SCHEMBL12419024 0.76 CA12 (0.55) ACHEGABRA1GABRB2ALDH1A1MAPT
SCHEMBL8538646 0.74 ACHE (0.50) ACHEGABRA1GABRB2ALDH1A1MAPT

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-115181404-B Preparation method of modified rice hull fiber/polylactic acid composite material 湖南建工集团有限公司 2023-04-21 — — CN claimed
CN-115181404-B Preparation method of modified rice hull fiber/polylactic acid composite material 湖南建工集团有限公司 2023-04-21 — — CN disclosed
CN-115181404-A Preparation method of modified rice hull fiber/polylactic acid composite material 湖南建工集团有限公司 2022-10-14 — — CN disclosed
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