SCHEMBL9631382

SCHEMBL9631382

Cc1c(C)c2c(c(C)c1O)C(=NO)CC(C)(COc1ccc(CC3SC(=O)N(CC(=O)OC(C)(C)C)C3=O)cc1)O2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.42
MCL1 Q07820 1/20 0.36
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL9631379 1.00 PPARG (0.42) PPARGMCL1MEN1MAPTKMT2A
SCHEMBL9633228 0.92 PPARG (0.44) PPARGMCL1MEN1MAPTKMT2A
SCHEMBL9630790 0.91 PPARG (0.41) PPARGMCL1MEN1MAPTKMT2A
SCHEMBL9630795 0.91 PPARG (0.41) PPARGMCL1MEN1MAPTKMT2A
SCHEMBL9632578 0.91 MCL1 (0.45) PPARGMCL1MEN1MAPTKMT2A
SCHEMBL9632584 0.91 MCL1 (0.45) PPARGMCL1MEN1MAPTKMT2A
SCHEMBL9630803 0.84 MEN1 (0.52) PPARGMCL1MEN1MAPTKMT2A
SCHEMBL9631020 0.83 PPARG (0.43) PPARGMCL1MEN1MAPTKMT2A
SCHEMBL9633298 0.82 MCL1 (0.43) PPARGMCL1MEN1MAPTKMT2A
SCHEMBL9633292 0.82 MCL1 (0.43) PPARGMCL1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104888-A Anticholesterol or antidiabetic agents SANKYO COMPANY, LIMITED (JP) 1992-04-14 US disclosed
EP-0207581-B1 THIAZOLIDINE DERIVATIVES, THEIR PREPARATION AND USE SANKYO COMPANY LIMITED (JP) 1990-09-12 EP disclosed
EP-0207581-A2 Thiazolidine derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1987-01-07 EP disclosed