SCHEMBL78724

SCHEMBL78724

CCC1=C(c2ccc(OCCOc3c(Cl)cccc3Cl)cc2)CC(CO[Si](C)(C)C(C)(C)C)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PPARA Q07869 2/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PTGDR2 Q9Y5Y4 3/20 0.32
ABCB1 P08183 1/20 0.31
BCHE P06276 1/20 0.31
CNR2 P34972 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
PRMT5 O14744 1/20 0.30

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
SCHEMBL78854 0.93 PPARG (0.40) KDM4ELMNAITGB3ITGA2BMAPT
SCHEMBL64503 0.91 PPARA (0.33) KDM4ELMNAITGB3ITGA2BPPARA
SCHEMBL64233 0.90 CHRM5 (0.35) KDM4ELMNAITGB3ITGA2BMAPT
SCHEMBL80037 0.89 ITGB3 (0.32) KDM4ELMNAITGB3ITGA2BPTGDR2
SCHEMBL78404 0.85 PDK1 (0.35) CHRM5CHRM1
SCHEMBL65792 0.85 PPARA (0.39) KDM4ELMNAITGB3ITGA2BL3MBTL1
SCHEMBL64196 0.83 GHSR (0.36) KDM4ELMNAPPARAPTGDR2ABCB1
SCHEMBL64056 0.83 PPARG (0.38) KDM4ELMNAITGB3ITGA2BMAPT
SCHEMBL91257 0.83 ITGB3 (0.34) KDM4ELMNAITGB3ITGA2BPPARA
SCHEMBL78635 0.82 PDK1 (0.35) KDM4ECHRM5CHRM1

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