SCHEMBL5692252

SCHEMBL5692252

CCc1cc(CC[Si](C)(C)C)cc(CC)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
BACE1 P56817 1/20 0.38
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSPA5 P11021 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
SIRT1 Q96EB6 1/20 0.32
PTGS2 P35354 3/20 0.31
GAA P10253 2/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 2/20 0.31
MAPK1 P28482 2/20 0.31
HTT P42858 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PPARG P37231 1/20 0.31
MAPK10 P53779 1/20 0.31
NCOA2 Q15596 1/20 0.31

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
SCHEMBL9187478 0.88 DHFR (0.41) DHFRGABRA1GABRB2BACE1CYP3A4
SCHEMBL5692145 0.86 DHFR (0.42) DHFRGABRA1GABRB2CYP3A4PTGS2
SCHEMBL14370359 0.85 DHFR (0.40) DHFRGABRA1GABRB2BACE1CYP3A4
SCHEMBL5692024 0.83 HTT (0.43) CYP3A4PTGS2KMT2AHPGDMAPK1
SCHEMBL5692470 0.79 GABRA1 (0.46) GABRA1GABRB2MAPK1ALDH1A1NPC1
SCHEMBL1023550 0.79 DHFR (0.47) DHFRGABRA1GABRB2BACE1CYP3A4
SCHEMBL28293473 0.76 PTGS2 (0.33) PTGS2
SCHEMBL581480 0.75 GABRA1 (0.52) DHFRGABRA1GABRB2BACE1CYP3A4
SCHEMBL1023576 0.75 DHFR (0.53) DHFRGABRA1GABRB2BACE1CYP3A4
SCHEMBL5692263 0.75 PTGS1 (0.50) PTGS2GAAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532400-A 2,6-di-alkyl-4-silyl-phenols as antiatheroscelerotic agents MERRELL PHARMACEUTICALS INC. (US) 1996-07-02 US claimed
EP-0464852-B1 Novel 2,6-di-alkyl-4-silyl-phenols as antiatherosclerotic agents and as antioxidants MERRELL DOW PHARMA (US) 1996-03-20 EP claimed
EP-0464852-A1 Novel 2,6-di-alkyl-4-silyl-phenols as antiatherosclerotic agents and as antioxidants MERRELL PHARMACEUTICALS INC. (US) 1992-01-08 EP claimed
EP-1468692-B1 Use of 2,6-di-alkyl-4-silyl-phenols for treating xanthoma MERRELL PHARMA INC (US) 2006-04-26 EP disclosed
EP-0732928-B1 METHOD OF LOWERING SERUM CHOLESTEROL LEVELS WITH 2,6-DI-ALKYL-4-SILYL-PHENOLS MERRELL PHARMA INC (US) 2004-12-22 EP disclosed
EP-1468693-A2 Use of 2,6-di -alkyl-4-silyl-phenols for treating diabetes mellitus MERRELL PHARMACEUTICALS INC. (US) 2004-10-20 EP disclosed
EP-1468692-A2 Use of 2,6-di-alkyl-4-silyl-phenols for treating xanthoma MERRELL PHARMACEUTICALS INC. (US) 2004-10-20 EP disclosed
CN-1092517-C Method for lowering serum cholesterol levels using 2, 6-dialkyl-4-silyl-phenols MERRELL DOW PHARMA (US) 2002-10-16 CN disclosed
CN-1216921-A Method for inducing vascular cell adhesion molecule-1 and treating chronic inflammatory diseases using 2, 6-dialkyl-4-silyl-phenols HOECHST MARION ROUSSEL INC (US) 1999-05-19 CN disclosed
EP-0910384-A1 METHOD OF INHIBITING VASCULAR CELL ADHESION MOLECULE-1 AND TREATING CHRONIC INFLAMMATORY DISEASES WITH 2,6-DI-ALKYL-4-SILYL-PHENOLS HOECHST MARION ROUSSEL, INC. (US) 1999-04-28 EP disclosed
US-5795876-A ANTIINFLAMMATORY AGENTS HOECHST MARION ROUSSSEL, INC. (US) 1998-08-18 US disclosed
WO-1997040837-A1 METHOD OF INHIBITING VASCULAR CELL ADHESION MOLECULE-1 AND TREATING CHRONIC INFLAMMATORY DISEASES WITH 2,6-DI-ALKYL-4-SILYL-PHENOLS HOECHST MARION ROUSSEL, INC. (US) 1997-11-06 WO disclosed
CN-1140995-A Method of lowering serum cholesterol levels with 2,6-di-alkyl-4-silyl-phenols MERRELL DOW PHARMA (US) 1997-01-22 CN disclosed
US-5532400-A 2,6-di-alkyl-4-silyl-phenols as antiatheroscelerotic agents MERRELL PHARMACEUTICALS INC. (US) 1996-07-02 US disclosed
EP-0464852-B1 Novel 2,6-di-alkyl-4-silyl-phenols as antiatherosclerotic agents and as antioxidants MERRELL DOW PHARMA (US) 1996-03-20 EP disclosed
CN-1029615-C Novel 2,6-Di-alkyl-4-silyl-phenols as antiatherosclerotic agents MERRELL DOW PHARMA (US) 1995-08-30 CN disclosed
US-5155250-A 2,6-DI-ALKYL-4-SILYL-PHENOLS AS ANTIATHEROSCEROTIC AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1992-10-13 US disclosed
CN-1057843-A New 2 as antiatherosclerotic, 6-two-alkyl-4-silyl-phenols MERRELL DOW PHARMA (US) 1992-01-15 CN disclosed
EP-0464852-A1 Novel 2,6-di-alkyl-4-silyl-phenols as antiatherosclerotic agents and as antioxidants MERRELL PHARMACEUTICALS INC. (US) 1992-01-08 EP disclosed