SCHEMBL78725

SCHEMBL78725

CCC1CN(C(=O)OCc2ccccc2)C(CO[Si](C)(C)C(C)(C)C)C=C1c1ccc(OCCOc2c(Cl)cccc2Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
S1PR5 Q9H228 2/20 0.33
S1PR1 P21453 1/20 0.33
PRKX P51817 1/20 0.33
ACVR1 Q04771 1/20 0.33
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
LTA4H P09960 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
PRMT5 O14744 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
SCHEMBL78858 0.93 PPARA (0.40) KDM4ELMNAS1PR5S1PR1PRKX
SCHEMBL78419 0.88 PDK1 (0.32) KDM4ELMNAS1PR5S1PR1PRKX
SCHEMBL10289283 0.83 KDM4E (0.33) KDM4ELMNAL3MBTL1ITGB3ITGA2B
SCHEMBL78706 0.81 PPARA (0.37) KDM4ELMNAS1PR5S1PR1PRKX
SCHEMBL78724 0.80 KDM4E (0.34) KDM4ELMNAPPARGPPARDPPARA
SCHEMBL10289281 0.80 FABP4 (0.34) KDM4ELMNAS1PR5S1PR1PRKX
SCHEMBL64196 0.79 GHSR (0.36) KDM4ELMNAPPARA
SCHEMBL64503 0.78 PPARA (0.33) KDM4ELMNAPPARGPPARDPPARA
SCHEMBL78781 0.78 KDM4E (0.36) KDM4ELMNAL3MBTL1LTA4H
SCHEMBL64233 0.78 CHRM5 (0.35) KDM4ELMNAL3MBTL1LTA4HITGB3

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