SCHEMBL7516736

SCHEMBL7516736

CC(C)(C)c1cc(O)c(C(C)(C)C)c(C(C)(C)C)c1CC[Si](c1ccccc1)(C(C)(C)C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
ATP2A2 P16615 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATP2A3 Q93084 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7527854 0.85 ALDH1A1 (0.34) ALDH1A1TSHRTDP1KDM4ECYP1A2
SCHEMBL7522276 0.81 ALOX15 (0.42) ALDH1A1TSHRTDP1KDM4ECYP1A2
SCHEMBL7518832 0.79 ALDH1A1 (0.39) ALDH1A1TSHRTDP1KDM4ECYP1A2
SCHEMBL7518328 0.77 ALOX15 (0.41) ALDH1A1TSHRTDP1KDM4ECYP1A2
SCHEMBL5692156 0.75 GAA (0.47) ALDH1A1TSHRKDM4ECYP1A2MAPT
SCHEMBL11578025 0.75 ALOX15 (0.41) ALDH1A1TSHRTDP1KDM4ECYP1A2
SCHEMBL8375517 0.72 GAA (0.33) ALDH1A1KDM4ECYP1A2MAPTALOX15
SCHEMBL11579924 0.69 MAPT (0.44) ALDH1A1TSHRTDP1KDM4ECYP1A2
SCHEMBL11579921 0.69 MAPT (0.44) ALDH1A1TSHRTDP1KDM4ECYP1A2
SCHEMBL28415112 0.68 ALOX15 (0.48) ALDH1A1TSHRTDP1KDM4ECYP1A2

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
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