SCHEMBL9630751

SCHEMBL9630751

Cc1c(C)c2c(c(C)c1OCC(=O)OC(C)(C)C)CCC(C)(COc1ccc(CC3(CC(=O)OC(C)(C)C)SC(=O)N(CC(=O)OC(C)(C)C)C3=O)cc1)O2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PPARG P37231 1/20 0.36
PSEN1 P49768 9/20 0.34
PTPN1 P18031 1/20 0.31
ALOX5 P09917 1/20 0.30

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
SCHEMBL9631939 0.88 MEN1 (0.32) MEN1MAPTKMT2ATDP1
SCHEMBL9633200 0.86 MEN1 (0.31) MEN1MAPTKMT2ATDP1
SCHEMBL9633203 0.86 MEN1 (0.31) MEN1MAPTKMT2ATDP1
SCHEMBL9632228 0.85 MEN1 (0.47) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL9633208 0.83 MEN1 (0.44) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL9189608 0.76 PPARG (0.43) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL9630803 0.75 MEN1 (0.52) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL7837647 0.75 MEN1 (0.46) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL7837649 0.73 MEN1 (0.45) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL9631385 0.73 MEN1 (0.34) MEN1MAPTKMT2ATDP1PSEN1

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