SCHEMBL64234

SCHEMBL64234

CCOC(=O)C1CN(C(=O)OCc2ccccc2)C(CO[Si](C)(C)C(C)(C)C)CC1c1ccc(OCCOc2c(Cl)cccc2Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
KCNH2 Q12809 2/20 0.35
REN P00797 1/20 0.35
CYP3A4 P08684 1/20 0.35
LTA4H P09960 1/20 0.34
USP30 Q70CQ3 1/20 0.34
MAPT P10636 1/20 0.33
EGFR P00533 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 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
SCHEMBL64057 0.93 PPARG (0.39) L3MBTL1KDM4ELMNALTA4HUSP30
SCHEMBL65686 0.86 PDK1 (0.38) MAPTCHRM2CHRM4CHRM5CHRM1
SCHEMBL65232 0.82 TMEM97 (0.37) USP30PDK1PDK2PDK3PDK4
SCHEMBL64233 0.80 CHRM5 (0.35) L3MBTL1KDM4ELMNACYP3A4LTA4H
SCHEMBL78724 0.80 KDM4E (0.34) L3MBTL1KDM4ELMNAMAPTCHRM5
SCHEMBL64503 0.78 PPARA (0.33) KDM4ELMNACYP3A4CHRM5CHRM1
SCHEMBL78725 0.77 KDM4E (0.34) L3MBTL1KDM4ELMNALTA4HPDK1
SCHEMBL78781 0.76 KDM4E (0.36) L3MBTL1KDM4ELMNALTA4HCHRM2
SCHEMBL80037 0.76 ITGB3 (0.32) KDM4ELMNA
SCHEMBL65299 0.75 LTA4H (0.35) L3MBTL1KDM4EKCNH2RENCYP3A4

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