SCHEMBL13495196

SCHEMBL13495196

COc1cc2c(cc1O[Si](C)(C)C(C)(C)C)CCC2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP3A4 P08684 3/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
MAOA P21397 1/20 0.41
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39

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
SCHEMBL13495212 1.00 MEN1 (0.42) MEN1KMT2ACYP3A4KDM4EALDH1A1
SCHEMBL8938839 0.94 PTGS2 (0.36) MEN1KMT2ACYP3A4TUBB4ATUBB
SCHEMBL5188491 0.92 HSD17B1 (0.42) MEN1KMT2ACYP3A4KDM4EALDH1A1
SCHEMBL19607444 0.85 ACHE (0.42) MEN1KMT2AKDM4EALDH1A1ACHE
SCHEMBL29420327 0.83 KMT2A (0.56) MEN1KMT2ACYP3A4KDM4EALDH1A1
SCHEMBL29420326 0.83 KMT2A (0.56) MEN1KMT2ACYP3A4KDM4EALDH1A1
SCHEMBL354177 0.83 KMT2A (0.56) MEN1KMT2ACYP3A4KDM4EALDH1A1
SCHEMBL15931767 0.75 HPGD (0.44) MEN1KMT2ACYP3A4KDM4EALDH1A1
SCHEMBL1561740 0.75 HTR2A (0.51) MEN1KMT2AKDM4EALDH1A1TUBB4A
SCHEMBL2306816 0.75 HTR2A (0.51) MEN1KMT2AKDM4EALDH1A1TUBB4A

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
WO-2010019560-A1 DEUTERATED DERIVATIVES OF DONEPEZIL CONCERT PHARMACEUTICALS INC. (US) 2010-02-18 WO disclosed