SCHEMBL7829495

SCHEMBL7829495

Cc1c(C)c2c(c(C)c1OCC(=O)N1CCCCC1)CCC(C)(COc1ccc(C=C3NC(=O)SC3=O)cc1)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
HPGD P15428 4/20 0.39
PARP1 P09874 1/20 0.39
ALOX5 P09917 2/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
CSNK2A2 P19784 1/20 0.36
CLK1 P49759 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL7836540 0.93 ALDH1A1 (0.45) MAPTMEN1KMT2ATDP1POLB
SCHEMBL7829489 0.93 HPGD (0.48) MAPTMEN1KMT2ATDP1POLB
SCHEMBL7838259 0.89 MEN1 (0.47) MAPTMEN1KMT2ATDP1POLB
SCHEMBL7828865 0.88 MEN1 (0.47) MAPTMEN1KMT2ATDP1HPGD
SCHEMBL7836536 0.86 ALOX5 (0.49) MAPTMEN1KMT2ATDP1POLB
SCHEMBL7837649 0.85 MEN1 (0.45) MAPTMEN1KMT2ATDP1HPGD
SCHEMBL7829767 0.84 MEN1 (0.46) MAPTMEN1KMT2ATDP1HPGD
SCHEMBL7836427 0.84 MEN1 (0.49) MAPTMEN1KMT2ATDP1POLB
SCHEMBL7837617 0.83 MEN1 (0.46) MAPTMEN1KMT2ATDP1HPGD
SCHEMBL4524348 0.83 MEN1 (0.46) MAPTMEN1KMT2ATDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0454501-B1 Benzylidenethiazolidine derivatives, their preparation and their use for the inhibition of lipid peroxides SANKYO CO (JP) 2001-09-05 EP claimed
EP-0839812-A1 Preparation of benzylthiazolidine derivatives Sankyo Company Limited (JP) 1998-05-06 EP claimed
EP-0454501-A2 Benzylidenethiazolidine derivatives, their preparation and their use for the inhibition of lipid peroxides Sankyo Company Limited (JP) 1991-10-30 EP claimed
EP-0454501-B1 Benzylidenethiazolidine derivatives, their preparation and their use for the inhibition of lipid peroxides SANKYO CO (JP) 2001-09-05 EP disclosed
EP-0839812-A1 Preparation of benzylthiazolidine derivatives Sankyo Company Limited (JP) 1998-05-06 EP disclosed
US-5387596-A Treating arteriosclerosis SANKYO COMPANY, LIMITED (JP) 1995-02-07 US disclosed
EP-0454501-A2 Benzylidenethiazolidine derivatives, their preparation and their use for the inhibition of lipid peroxides Sankyo Company Limited (JP) 1991-10-30 EP disclosed