SCHEMBL66854

SCHEMBL66854

CCOC(=O)C1=C(c2ccc(O)cc2)CCN(C(=O)OCc2ccccc2)C1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
ELANE P08246 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34

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
SCHEMBL78622 0.90 SMN1; SMN2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL78412 0.86 PPARG (0.39) CHRM5CHRM1TP53POLBSMN1; SMN2
SCHEMBL78781 0.86 KDM4E (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL64061 0.81 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL78185 0.81 PDK1 (0.40) PDK1PDK2PDK3PDK4ELANE
SCHEMBL65685 0.81 CHRM5 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL64034 0.79 CHRM5 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL64456 0.77 PPARG (0.39) CHRM5CHRM1SMN1; SMN2KDM4ELMNA
SCHEMBL64196 0.77 GHSR (0.36) CHRM5CHRM1KDM4ELMNA
SCHEMBL78404 0.77 PDK1 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3

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 2 patents. 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
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed