SCHEMBL64233

SCHEMBL64233

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 5/20 0.35
CHRM1 P11229 5/20 0.35
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM3 P20309 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP3A4 P08684 1/20 0.31
LTA4H P09960 1/20 0.31
MAPT P10636 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL64056 0.93 PPARG (0.38) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL64503 0.93 PPARA (0.33) CHRM5CHRM1KDM4ELMNAITGB3
SCHEMBL78724 0.90 KDM4E (0.34) CHRM5CHRM1KDM4ELMNAITGB3
SCHEMBL65792 0.87 PPARA (0.39) CHRM5CHRM1KDM4ELMNAITGB3
SCHEMBL80037 0.86 ITGB3 (0.32) KDM4ELMNAITGB3ITGA2BPTGDR2
SCHEMBL65685 0.86 CHRM5 (0.40) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL78781 0.84 KDM4E (0.36) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL65231 0.83 CHRM5 (0.39) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL78854 0.83 PPARG (0.40) KDM4ELMNAITGB3ITGA2BSMN1; SMN2
SCHEMBL64196 0.81 GHSR (0.36) CHRM5CHRM1KDM4ELMNAPTGDR2

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