SCHEMBL64057

SCHEMBL64057

CCOC(=O)C1CN(C(=O)OCc2ccccc2)C(CO[Si](C)(C)C(C)(C)C)CC1c1ccc(OCCOc2ccccc2Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.39
PPARA Q07869 3/20 0.39
PPARD Q03181 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
LTA4H P09960 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 1/20 0.33
EGFR P00533 2/20 0.33
PDE4B Q07343 1/20 0.33
USP30 Q70CQ3 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33

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
SCHEMBL64234 0.93 L3MBTL1 (0.36) L3MBTL1KDM4ELMNALTA4HMAPT
SCHEMBL65686 0.86 PDK1 (0.38) MAPTPDE4BCHRM2CHRM4CHRM5
SCHEMBL65232 0.80 TMEM97 (0.37) PPARGPPARAPDE4BUSP30
SCHEMBL64056 0.80 PPARG (0.38) PPARGPPARAPPARDL3MBTL1KDM4E
SCHEMBL78854 0.80 PPARG (0.40) PPARGPPARAPPARDL3MBTL1KDM4E
SCHEMBL65792 0.79 PPARA (0.39) PPARGPPARAPPARDL3MBTL1KDM4E
SCHEMBL78858 0.77 PPARA (0.40) PPARGPPARAPPARDL3MBTL1KDM4E
SCHEMBL78412 0.76 PPARG (0.39) PPARGPPARAPPARDL3MBTL1KDM4E
SCHEMBL65814 0.76 PPARG (0.39) PPARGPPARAPPARDL3MBTL1KDM4E
SCHEMBL78866 0.76 PPARG (0.36) PPARGPPARAPPARDL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed