SCHEMBL29028291

SCHEMBL29028291

COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(OC)c(OC)c(OC)c3)C2=O)ccc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.67
▸ KMT2A Q03164 10/20 0.67
▸ L3MBTL1 Q9Y468 4/20 0.65
▸ USP2 O75604 1/20 0.65
▸ MAPT P10636 8/20 0.63
▸ MCL1 Q07820 1/20 0.63
▸ KDM4E B2RXH2 5/20 0.59
▸ NPSR1 Q6W5P4 5/20 0.59
▸ ALDH1A1 P00352 5/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ HPGD P15428 1/20 0.59
▸ PTPN1 P18031 1/20 0.58
▸ ACP1 P24666 1/20 0.58
▸ POLB P06746 3/20 0.57
▸ BLM P54132 2/20 0.57
▸ PTPN7 P35236 1/20 0.57
▸ DUSP3 P51452 1/20 0.57
▸ PPP1CA P62136 1/20 0.57
▸ CACNA1B Q00975 1/20 0.57
▸ APBA1 Q02410 1/20 0.57

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
SCHEMBL29028351 0.89 MEN1 (0.73) MEN1KMT2AL3MBTL1USP2MAPT
SCHEMBL29028359 0.89 KMT2A (0.73) MEN1KMT2AL3MBTL1USP2MAPT
SCHEMBL29028333 0.88 KMT2A (0.71) MEN1KMT2AL3MBTL1USP2MAPT
SCHEMBL29028307 0.88 KMT2A (0.69) MEN1KMT2AL3MBTL1USP2MAPT
SCHEMBL29028383 0.87 MEN1 (0.70) MEN1KMT2AL3MBTL1USP2MAPT
SCHEMBL29028344 0.87 PTPN1 (0.72) MEN1KMT2AL3MBTL1USP2MAPT
SCHEMBL29028387 0.86 KMT2A (0.69) MEN1KMT2AL3MBTL1USP2MAPT
SCHEMBL29028399 0.86 MEN1 (0.72) MEN1KMT2AL3MBTL1USP2MAPT
SCHEMBL29028390 0.86 MEN1 (0.72) MEN1KMT2AL3MBTL1USP2MAPT
SCHEMBL29028280 0.86 MEN1 (0.72) MEN1KMT2AL3MBTL1USP2MAPT

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
CN-116354901-B Thiazolidinedione compound and preparation method and application thereof 郑州大学 2024-04-26 — — CN disclosed
CN-116354901-A Thiazolidinedione compound and preparation method and application thereof 郑州大学 2023-06-30 — — CN disclosed
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