SCHEMBL29028638

SCHEMBL29028638

COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(=O)O)c3)C2=O)ccc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 11/20 0.70
▸ KMT2A Q03164 11/20 0.70
▸ L3MBTL1 Q9Y468 4/20 0.70
▸ USP2 O75604 1/20 0.70
▸ POLB P06746 5/20 0.65
▸ PTPN1 P18031 1/20 0.64
▸ ACP1 P24666 1/20 0.64
▸ PTPN12 Q05209 2/20 0.63
▸ PTPN22 Q9Y2R2 2/20 0.63
▸ PSMD14 O00487 1/20 0.63
▸ GPR35 Q9HC97 1/20 0.63
▸ ALDH1A1 P00352 5/20 0.60
▸ NPSR1 Q6W5P4 4/20 0.60
▸ MAPT P10636 5/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ CTDSP1 Q9GZU7 3/20 0.60
▸ BLM P54132 3/20 0.60
▸ TDP1 Q9NUW8 3/20 0.60
▸ PKM P14618 2/20 0.60
▸ PTPN7 P35236 2/20 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
SCHEMBL29028344 0.90 PTPN1 (0.72) MEN1KMT2AL3MBTL1USP2POLB
SCHEMBL29028280 0.90 MEN1 (0.72) MEN1KMT2AL3MBTL1USP2POLB
SCHEMBL29028390 0.90 MEN1 (0.72) MEN1KMT2AL3MBTL1USP2POLB
SCHEMBL29028399 0.90 MEN1 (0.72) MEN1KMT2AL3MBTL1USP2POLB
SCHEMBL29028527 0.89 MEN1 (0.71) MEN1KMT2AL3MBTL1USP2POLB
SCHEMBL29028307 0.86 KMT2A (0.69) MEN1KMT2AL3MBTL1USP2POLB
SCHEMBL29028383 0.85 MEN1 (0.70) MEN1KMT2AL3MBTL1USP2POLB
SCHEMBL29028351 0.85 MEN1 (0.73) MEN1KMT2AL3MBTL1USP2POLB
SCHEMBL29028359 0.85 KMT2A (0.73) MEN1KMT2AL3MBTL1USP2POLB
SCHEMBL29028291 0.85 MEN1 (0.67) MEN1KMT2AL3MBTL1USP2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116354901-A Thiazolidinedione compound and preparation method and application thereof 郑州大学 2023-06-30 — — CN disclosed
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