SCHEMBL31097625

SCHEMBL31097625

C=C1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)C(=O)C[C@@H]12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.44
▸ MAPT P10636 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ STAT3 P40763 10/20 0.37
▸ SYNJ2 O15056 1/20 0.36
▸ SLC6A2 P23975 1/20 0.34
▸ SELE P16581 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL18180917 0.87 MAPT (0.48) PTPN1MAPTMEN1KMT2ASTAT3
SCHEMBL29425939 0.69 MAPT (0.70) MAPTMEN1KMT2ASTAT3
SCHEMBL30124791 0.67 MEN1 (0.73) MAPTMEN1KMT2ASTAT3
Trehalose SCHEMBL17819391 0.63 MEN1 (0.56) PTPN1MAPTMEN1KMT2AL3MBTL1
Goodyeroside SCHEMBL28930530 0.62 PTPN1 (1.00) PTPN1MAPTMEN1KMT2ASTAT3
Goodyeroside SCHEMBL29711425 0.62 PTPN1 (1.00) PTPN1MAPTMEN1KMT2ASTAT3
Goodyeroside SCHEMBL22043215 0.62 PTPN1 (1.00) PTPN1MAPTMEN1KMT2ASTAT3
SCHEMBL31130793 0.62 PTPN1 (0.49) PTPN1MAPTMEN1KMT2ASTAT3
Trehalose SCHEMBL23029503 0.62 MEN1 (0.57) PTPN1MAPTMEN1KMT2AL3MBTL1
SCHEMBL5357747 0.62 MEN1 (0.57) PTPN1MAPTMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240293579-A1 Composition Comprising Trim31 and Rhbdf2 for Treatment of NAFLD/NASH CHONGQING MEIPULAN TECHNOLOGY CO., LTD (CN) 2024-09-05 — — US claimed
US-20240293579-A1 Composition Comprising Trim31 and Rhbdf2 for Treatment of NAFLD/NASH CHONGQING MEIPULAN TECHNOLOGY CO., LTD (CN) 2024-09-05 — — US disclosed
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