SCHEMBL91346

SCHEMBL91346

CC(C)(CCC1C(C(=O)O)=C(c2ccc(OCCOc3ccccc3Cl)cc2)CCN1C(=O)OCc1ccccc1)[Si](C)(C)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 1/20 0.38
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
AOC3 Q16853 1/20 0.34
PTGDR2 Q9Y5Y4 11/20 0.34
LMNA P02545 1/20 0.34
FAAH O00519 1/20 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
SCHEMBL91270 0.93 PPARG (0.38) PPARAPPARGPPARDCHRM5CHRM1
SCHEMBL10289284 0.93 PPARA (0.36) PPARAPPARGCHRM5CHRM1KDM4E
SCHEMBL64456 0.88 PPARG (0.39) PPARAPPARGPPARDCHRM5CHRM1
SCHEMBL91348 0.86 REN (0.50)
SCHEMBL91275 0.81 PPARG (0.38) PPARAPPARGPPARDKDM4EMEN1
SCHEMBL78412 0.81 PPARG (0.39) PPARAPPARGPPARDCHRM5CHRM1
SCHEMBL10289009 0.81 PARP1 (0.38) PPARACHRM5CHRM1MEN1KMT2A
SCHEMBL64196 0.80 GHSR (0.36) PPARACHRM5CHRM1KDM4EAOC3
SCHEMBL91347 0.80 PPARG (0.38) PPARAPPARGPPARDKDM4EMEN1
SCHEMBL65792 0.76 PPARA (0.39) PPARAPPARGPPARDCHRM5CHRM1

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