SCHEMBL64056

SCHEMBL64056

CCOC(=O)C1=C(c2ccc(OCCOc3ccccc3Cl)cc2)CC(CO[Si](C)(C)C(C)(C)C)N(C(=O)OCc2ccccc2)C1

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
CHRM5 P08912 4/20 0.35
CHRM1 P11229 4/20 0.35
MAPT P10636 3/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM3 P20309 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
HCRTR1 O43613 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
REN P00797 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 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
SCHEMBL65792 0.94 PPARA (0.39) PPARGPPARDPPARACHRM5CHRM1
SCHEMBL64233 0.93 CHRM5 (0.35) CHRM5CHRM1MAPTCHRM2CHRM4
SCHEMBL78854 0.90 PPARG (0.40) PPARGPPARDPPARAMAPTKDM4E
SCHEMBL64503 0.87 PPARA (0.33) PPARGPPARDPPARACHRM5CHRM1
SCHEMBL78866 0.86 PPARG (0.36) PPARGPPARDPPARAKDM4ELMNA
SCHEMBL65685 0.86 CHRM5 (0.40) CHRM5CHRM1MAPTCHRM2CHRM4
SCHEMBL78412 0.84 PPARG (0.39) PPARGPPARDPPARACHRM5CHRM1
SCHEMBL64604 0.84 REN (0.52) REN
SCHEMBL78724 0.83 KDM4E (0.34) PPARGPPARDPPARACHRM5CHRM1
SCHEMBL65231 0.82 CHRM5 (0.39) CHRM5CHRM1MAPTCHRM2CHRM4

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