SCHEMBL9632239

SCHEMBL9632239

Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)N(CC(=O)O)C3=O)cc1)O2

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
PPARG P37231 6/20 0.49
MCL1 Q07820 1/20 0.47
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
ALOX5 P09917 3/20 0.39
NR1I2 O75469 1/20 0.37

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
SCHEMBL9632803 0.91 MAPT (0.57) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL9632295 0.91 MEN1 (0.46) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL9630803 0.90 MEN1 (0.52) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL10281136 0.88 MAPT (0.59) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL9631390 0.86 MCL1 (0.49) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL11925102 0.86 MAPT (0.57) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL4100211 0.85 MAPT (0.56) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL9632584 0.83 MCL1 (0.45) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL9632578 0.83 MCL1 (0.45) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL9632171 0.83 PPARG (0.49) MEN1MAPTKMT2ATDP1PPARG

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