SCHEMBL65792

SCHEMBL65792

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.39
PPARG P37231 2/20 0.39
PPARD Q03181 1/20 0.39
REN P00797 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
HCRTR1 O43613 1/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
BCHE P06276 1/20 0.32
CNR2 P34972 1/20 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
HPGD P15428 1/20 0.32
RXRA P19793 1/20 0.32

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
SCHEMBL64056 0.94 PPARG (0.38) PPARAPPARGPPARDRENL3MBTL1
SCHEMBL64503 0.93 PPARA (0.33) PPARAPPARGPPARDITGB3ITGA2B
SCHEMBL78854 0.92 PPARG (0.40) PPARAPPARGPPARDRENL3MBTL1
SCHEMBL78866 0.89 PPARG (0.36) PPARAPPARGPPARDRENL3MBTL1
SCHEMBL64604 0.87 REN (0.52) REN
SCHEMBL64233 0.87 CHRM5 (0.35) L3MBTL1ITGB3ITGA2BKDM4ELMNA
SCHEMBL64456 0.85 PPARG (0.39) PPARAPPARGPPARDKDM4ELMNA
SCHEMBL78724 0.85 KDM4E (0.34) PPARAPPARGPPARDL3MBTL1ITGB3
SCHEMBL80037 0.82 ITGB3 (0.32) ITGB3ITGA2BKDM4ELMNA
SCHEMBL65202 0.81 MGLL (0.36) PPARAKDM4ECHRM5CHRM1ALDH1A1

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