SCHEMBL78866

SCHEMBL78866

CC(C)(C)[Si](C)(C)OCC1CC(c2ccc(OCCOc3ccccc3Cl)cc2)=C(OC=O)CN1C(=O)OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
PPARD Q03181 1/20 0.36
REN P00797 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HCRTR1 O43613 1/20 0.31
CISD1 Q9NZ45 1/20 0.31
LMNA P02545 1/20 0.31
BCHE P06276 1/20 0.31
CNR2 P34972 1/20 0.31
FFAR2 O15552 1/20 0.30
PRMT5 O14744 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
SCHEMBL80037 0.93 ITGB3 (0.32) ITGB3ITGA2BKDM4ELMNAFFAR2
SCHEMBL65792 0.89 PPARA (0.39) PPARGPPARAPPARDRENL3MBTL1
SCHEMBL78854 0.89 PPARG (0.40) PPARGPPARAPPARDRENL3MBTL1
SCHEMBL64056 0.86 PPARG (0.38) PPARGPPARAPPARDRENL3MBTL1
SCHEMBL64503 0.83 PPARA (0.33) PPARGPPARAPPARDITGB3ITGA2B
SCHEMBL78366 0.82 PDK1 (0.33)
SCHEMBL78724 0.82 KDM4E (0.34) PPARGPPARAPPARDL3MBTL1ITGB3
SCHEMBL64456 0.81 PPARG (0.39) PPARGPPARAPPARDKDM4EMEN1
SCHEMBL64604 0.80 REN (0.52) REN
SCHEMBL64233 0.80 CHRM5 (0.35) L3MBTL1ITGB3ITGA2BKDM4ESMN1; SMN2

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