SCHEMBL7519795

SCHEMBL7519795

CC(=O)Oc1c(C)cc(OC[Si](C)(C)c2ccccc2)c(C)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
PTPN1 P18031 2/20 0.43
KDM4E B2RXH2 5/20 0.43
MAPT P10636 4/20 0.43
HSD17B10 Q99714 3/20 0.43
GAA P10253 3/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
POLB P06746 1/20 0.38
BACE1 P56817 2/20 0.38
ADORA3 P0DMS8 2/20 0.36
MAPK1 P28482 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
ESR1 P03372 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
HMGB1 P09429 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL7526726 0.90 HTT (0.49) HTTPTPN1KDM4EMAPTHSD17B10
SCHEMBL8839500 0.85 BACE1 (0.41) HTTKDM4EMAPTHSD17B10GAA
SCHEMBL7522909 0.85 HTT (0.39) HTTPTPN1KDM4EMAPTHSD17B10
SCHEMBL7520501 0.81 HTT (0.48) HTTPTPN1KDM4EMAPTHSD17B10
SCHEMBL7521658 0.79 ALOX5 (0.47) HTTMAPTGAAALDH1A1ADORA3
Dimethylamine SCHEMBL7521862 0.76 ALOX5 (0.45) MAPTGAAALDH1A1MAPK1ESR1
SCHEMBL7516405 0.75 KDM4E (0.40) PTPN1KDM4EMAPTHSD17B10GAA
SCHEMBL7518269 0.75 MAPT (0.34) HTTKDM4EMAPTHSD17B10GAA
SCHEMBL4040605 0.74 NPC1 (0.50) HTTPTPN1KDM4EMAPTHSD17B10
SCHEMBL7523672 0.74 BACE1 (0.39) MAPTBACE1ADORA3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900225-B1 ALKYL-4-SILYL-PHENOLS AND ESTERS THEREOF AS ANTIATHEROSCLEROTIC AGENTS AVENTIS PHARMA INC (US) 2002-01-30 EP claimed
EP-0900225-A1 ALKYL-4-SILYL-PHENOLS AND ESTERS THEREOF AS ANTIATHEROSCLEROTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1999-03-10 EP claimed
WO-1997041129-A1 ALKYL-4-SILYL-PHENOLS AND ESTERS THEREOF AS ANTIATHEROSCLEROTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1997-11-06 WO claimed
US-5608095-A Alkyl-4-silyl-phenols and esters thereof as antiatherosclerotic agents HOECHST MARION ROUSSEL, INC. (US) 1997-03-04 US claimed
EP-0900225-B1 ALKYL-4-SILYL-PHENOLS AND ESTERS THEREOF AS ANTIATHEROSCLEROTIC AGENTS AVENTIS PHARMA INC (US) 2002-01-30 EP disclosed
US-5608095-A Alkyl-4-silyl-phenols and esters thereof as antiatherosclerotic agents HOECHST MARION ROUSSEL, INC. (US) 1997-03-04 US disclosed