SCHEMBL29028344

SCHEMBL29028344

COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(=O)O)cc3)C2=O)ccc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.72
▸ ACP1 P24666 1/20 0.72
▸ MEN1 O00255 8/20 0.70
▸ KMT2A Q03164 8/20 0.70
▸ PTPN7 P35236 3/20 0.70
▸ POLB P06746 4/20 0.63
▸ L3MBTL1 Q9Y468 3/20 0.63
▸ CACNA1B Q00975 2/20 0.63
▸ APBA1 Q02410 2/20 0.63
▸ PTPN12 Q05209 2/20 0.63
▸ PTPN22 Q9Y2R2 2/20 0.63
▸ APAF1 O14727 1/20 0.63
▸ USP2 O75604 1/20 0.63
▸ TDP1 Q9NUW8 4/20 0.61
▸ KDR P35968 2/20 0.61
▸ NPSR1 Q6W5P4 4/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ CTDSP1 Q9GZU7 2/20 0.60
▸ MAPT P10636 2/20 0.60
▸ BLM P54132 3/20 0.58

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
SCHEMBL29028383 0.93 MEN1 (0.70) PTPN1ACP1MEN1KMT2APTPN7
SCHEMBL29028359 0.91 KMT2A (0.73) PTPN1ACP1MEN1KMT2APTPN7
SCHEMBL29028351 0.91 MEN1 (0.73) PTPN1ACP1MEN1KMT2APTPN7
SCHEMBL29028638 0.90 MEN1 (0.70) PTPN1ACP1MEN1KMT2APTPN7
SCHEMBL29028333 0.90 KMT2A (0.71) PTPN1ACP1MEN1KMT2APTPN7
SCHEMBL29028387 0.88 KMT2A (0.69) PTPN1ACP1MEN1KMT2APTPN7
SCHEMBL29028307 0.88 KMT2A (0.69) PTPN1ACP1MEN1KMT2APTPN7
SCHEMBL29028338 0.88 KMT2A (0.68) PTPN1ACP1MEN1KMT2APTPN7
SCHEMBL29028291 0.87 MEN1 (0.67) PTPN1ACP1MEN1KMT2APTPN7
SCHEMBL29028390 0.85 MEN1 (0.72) PTPN1ACP1MEN1KMT2APTPN7

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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