SCHEMBL7523138

SCHEMBL7523138

CCC[Si](CCC)(CCC)CSc1cc(C(C)(C)C)c(O)cc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
ATP2A2 P16615 1/20 0.46
ATP2A3 Q93084 1/20 0.46
TP53 P04637 3/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2C9 P11712 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.37
PTGS1 P23219 4/20 0.33

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
SCHEMBL7527873 0.91 ALOX15 (0.43) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL7524510 0.88 ALOX15 (0.48) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL7517320 0.81 ALOX15 (0.44) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL7518988 0.80 ALOX15 (0.38) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL7523110 0.80 ALOX15 (0.50) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL7516430 0.78 ALDH1A1 (0.42) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL7522610 0.77 PTGS2 (0.37) LMNAPTGS2HTT
SCHEMBL7523116 0.77 ALOX15 (0.47) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL7521510 0.75 ALOX15 (0.36) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL8577973 0.75 ALOX15 (0.49) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT

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