SCHEMBL9631385

SCHEMBL9631385

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PSEN1 P49768 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9630830 0.92 MEN1 (0.33) MEN1MAPTKMT2ATDP1
SCHEMBL9630825 0.92 MEN1 (0.33) MEN1MAPTKMT2ATDP1
SCHEMBL9632228 0.88 MEN1 (0.47) MEN1MAPTKMT2ATDP1PSEN1
SCHEMBL9631939 0.85 MEN1 (0.32) MEN1MAPTKMT2ATDP1
SCHEMBL9630963 0.82 MCL1 (0.47) MEN1MAPTKMT2ATDP1PSEN1
SCHEMBL9633203 0.78 MEN1 (0.31) MEN1MAPTKMT2ATDP1
SCHEMBL9633200 0.78 MEN1 (0.31) MEN1MAPTKMT2ATDP1
SCHEMBL9632700 0.76 CYP3A4 (0.49) MEN1MAPTKMT2ATDP1ALDH1A1
SCHEMBL9633298 0.74 MCL1 (0.43) MEN1MAPTKMT2ATDP1PSEN1
SCHEMBL9633292 0.74 MCL1 (0.43) 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 2 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-A2 Thiazolidine derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1987-01-07 EP disclosed