SCHEMBL80037

SCHEMBL80037

CC(C)(C)[Si](C)(C)OCC1CC(c2ccc(OCCOc3c(Cl)cccc3Cl)cc2)=C(OC=O)CN1C(=O)OCc1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
SLC16A3 O15427 3/20 0.31
SLC16A1 P53985 3/20 0.31
MCTS1 Q9ULC4 2/20 0.30
FFAR2 O15552 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
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
SCHEMBL78866 0.93 PPARG (0.36) ITGB3ITGA2BKDM4ELMNAFFAR2
SCHEMBL78724 0.89 KDM4E (0.34) ITGB3ITGA2BKDM4ELMNAPTGDR2
SCHEMBL64503 0.89 PPARA (0.33) ITGB3ITGA2BKDM4ELMNAPTGDR2
SCHEMBL64233 0.86 CHRM5 (0.35) ITGB3ITGA2BKDM4ELMNAPTGDR2
SCHEMBL78366 0.83 PDK1 (0.33)
SCHEMBL65792 0.82 PPARA (0.39) ITGB3ITGA2BKDM4ELMNA
SCHEMBL78854 0.82 PPARG (0.40) ITGB3ITGA2BKDM4ELMNAPTGDR2
SCHEMBL64196 0.81 GHSR (0.36) KDM4ELMNAPTGDR2
SCHEMBL64056 0.80 PPARG (0.38) ITGB3ITGA2BKDM4ELMNA
SCHEMBL78419 0.79 PDK1 (0.32) KDM4ELMNAFFAR2

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