SCHEMBL91270

SCHEMBL91270

CCOC(=O)C1=C(c2ccc(OCCOc3ccccc3Cl)cc2)CCN(C(=O)OCc2ccccc2)C1CCC(C)(C)[Si](C)(C)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
PRMT5 O14744 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
TSHR P16473 1/20 0.34
PTGDR2 Q9Y5Y4 5/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
AOC3 Q16853 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
SCHEMBL91346 0.93 PPARA (0.38) PPARGPPARDPPARAKDM4ELMNA
SCHEMBL78412 0.88 PPARG (0.39) PPARGPPARDPPARAKDM4ELMNA
SCHEMBL10289284 0.86 PPARA (0.36) PPARGPPARAKDM4ELMNACHRM5
SCHEMBL91348 0.84 REN (0.50)
SCHEMBL91298 0.82 CHRM5 (0.37) PPARASMN1; SMN2POLBCHRM5CHRM1
SCHEMBL78781 0.81 KDM4E (0.36) KDM4ELMNASMN1; SMN2TP53POLB
SCHEMBL64456 0.81 PPARG (0.39) PPARGPPARDPPARAKDM4ELMNA
SCHEMBL91275 0.80 PPARG (0.38) PPARGPPARDPPARAKDM4ELMNA
SCHEMBL65813 0.79 PPARG (0.40) PPARGPPARDPPARAKDM4ETP53
SCHEMBL91347 0.78 PPARG (0.38) PPARGPPARDPPARAKDM4ELMNA

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