SCHEMBL7516405

SCHEMBL7516405

CC(=O)Oc1cc(C(C)(C)C)c(OC[Si](C)(C)c2ccccc2)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
PTGS2 P35354 2/20 0.40
ESR1 P03372 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
HMGB1 P09429 1/20 0.40
TSHR P16473 1/20 0.40
GGT1 P19440 1/20 0.40
PTGS1 P23219 1/20 0.40
BLM P54132 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
MAPT P10636 2/20 0.38
PTPN1 P18031 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL7525820 0.86 MAPT (0.38) KDM4EALDH1A1HSD17B10HPGDTDP1
SCHEMBL7518926 0.85 SLC6A9 (0.33) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL7517854 0.83 ALOX15 (0.47) KDM4EALDH1A1HSD17B10HPGDTDP1
SCHEMBL8517276 0.82 ADORA3 (0.35) KDM4EALDH1A1HPGDTDP1MAPT
SCHEMBL7523672 0.81 BACE1 (0.39) MAPTBACE1
Dimethylamine SCHEMBL7520158 0.80 ALOX15 (0.44) KDM4EALDH1A1HSD17B10HPGDTDP1
SCHEMBL6544788 0.79 RXRA (0.53) KDM4EALDH1A1HSD17B10HPGDTDP1
SCHEMBL7519795 0.75 HTT (0.49) KDM4EALDH1A1HSD17B10HPGDTDP1
SCHEMBL7522056 0.74 KDM4E (0.34) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL7525872 0.74 VCAM1 (0.36) KDM4EALDH1A1PTGDR2GAARXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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