SCHEMBL29028286

SCHEMBL29028286

COc1cc(/C=C2\SC(=O)N(CC(=O)NCc3ccco3)C2=O)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.57
▸ POLB P06746 2/20 0.57
▸ MEN1 O00255 5/20 0.57
▸ KMT2A Q03164 5/20 0.57
▸ MAPT P10636 3/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ HPGD P15428 2/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ PTPN1 P18031 1/20 0.56
▸ ACP1 P24666 1/20 0.56
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ USP2 O75604 1/20 0.54
▸ HTT P42858 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ PDE4B Q07343 1/20 0.51
▸ GAA P10253 1/20 0.50

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
SCHEMBL29028279 0.85 KDM4E (0.58) KDM4EPOLBMEN1KMT2AMAPT
SCHEMBL29028296 0.83 PTPN1 (0.61) KDM4EPOLBMEN1KMT2AMAPT
SCHEMBL29028292 0.82 KDM4E (0.56) KDM4EPOLBMEN1KMT2AMAPT
SCHEMBL29028373 0.80 PTPN1 (0.58) KDM4EPOLBMEN1KMT2AMAPT
SCHEMBL29028291 0.79 MEN1 (0.67) KDM4EPOLBMEN1KMT2AMAPT
SCHEMBL29028307 0.79 KMT2A (0.69) KDM4EPOLBMEN1KMT2AMAPT
SCHEMBL29028351 0.78 MEN1 (0.73) KDM4EPOLBMEN1KMT2AMAPT
SCHEMBL29028359 0.78 KMT2A (0.73) KDM4EPOLBMEN1KMT2AMAPT
SCHEMBL29028390 0.77 MEN1 (0.72) KDM4EPOLBMEN1KMT2AMAPT
SCHEMBL29028399 0.77 MEN1 (0.72) KDM4EPOLBMEN1KMT2AMAPT

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
Send feedback