SCHEMBL29028296

SCHEMBL29028296

COc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3ccc(O)c(OC)c3)C2=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.61
▸ ACP1 P24666 1/20 0.61
▸ KDM4E B2RXH2 4/20 0.60
▸ POLB P06746 2/20 0.60
▸ MEN1 O00255 5/20 0.57
▸ KMT2A Q03164 5/20 0.57
▸ MAPK1 P28482 3/20 0.57
▸ MAPT P10636 2/20 0.57
▸ HPGD P15428 2/20 0.57
▸ ALPL P05186 1/20 0.57
▸ RECQL P46063 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ CA9 Q16790 1/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ PPARG P37231 1/20 0.54
▸ PDE4B Q07343 1/20 0.53

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
SCHEMBL29028373 0.90 PTPN1 (0.58) PTPN1ACP1KDM4EPOLBMEN1
SCHEMBL29028351 0.87 MEN1 (0.73) PTPN1ACP1KDM4EPOLBMEN1
SCHEMBL29028292 0.86 KDM4E (0.56) PTPN1ACP1KDM4EPOLBMEN1
SCHEMBL29028279 0.84 KDM4E (0.58) PTPN1ACP1KDM4EPOLBMEN1
SCHEMBL29028286 0.83 KDM4E (0.57) PTPN1ACP1KDM4EPOLBMEN1
SCHEMBL29028291 0.81 MEN1 (0.67) PTPN1ACP1KDM4EPOLBMEN1
SCHEMBL29028280 0.81 MEN1 (0.72) PTPN1ACP1KDM4EPOLBMEN1
SCHEMBL29028307 0.81 KMT2A (0.69) PTPN1ACP1KDM4EPOLBMEN1
SCHEMBL29028359 0.80 KMT2A (0.73) PTPN1ACP1KDM4EPOLBMEN1
SCHEMBL29028333 0.79 KMT2A (0.71) PTPN1ACP1KDM4EPOLBMEN1

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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