SCHEMBL65813

SCHEMBL65813

CCOC(=O)C1=C(c2ccc(OCCOc3ccccc3Cl)cc2)CCN(C(=O)O)C1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 7/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 5/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 1/20 0.34
REN P00797 1/20 0.33
TP53 P04637 2/20 0.33
AOC3 Q16853 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM3 P20309 1/20 0.33
LTA4H P09960 1/20 0.32
KCNH2 Q12809 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
SCHEMBL78781 0.84 KDM4E (0.36) CHRM5CHRM1L3MBTL1TP53CHRM2
SCHEMBL64456 0.84 PPARG (0.39) PPARGPPARDPPARACHRM5CHRM1
SCHEMBL64034 0.80 CHRM5 (0.38) CHRM5CHRM1L3MBTL1MAPTNPC1
SCHEMBL91270 0.79 PPARG (0.38) PPARGPPARDPPARACHRM5CHRM1
SCHEMBL64056 0.76 PPARG (0.38) PPARGPPARDPPARACHRM5CHRM1
SCHEMBL64196 0.76 GHSR (0.36) PPARACHRM5CHRM1AOC3KDM4E
SCHEMBL66854 0.75 CHRM2 (0.38) CHRM5CHRM1L3MBTL1TP53CHRM2
SCHEMBL65471 0.75 REN (0.51) REN
SCHEMBL65814 0.75 PPARG (0.39) PPARGPPARDPPARAL3MBTL1MAPT
SCHEMBL78854 0.73 PPARG (0.40) PPARGPPARDPPARAL3MBTL1MAPT

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