SCHEMBL5692018

SCHEMBL5692018

Cc1cccc([SiH2]CCc2cc(C(C)C)c(O)c(C(C)C)c2)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.39
GABRB1 P18505 6/20 0.39
GABRB2 P47870 3/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRA6 Q16445 2/20 0.39
GSR P00390 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
FAAH O00519 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GABRG2 P18507 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39

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
SCHEMBL5692376 0.84 PTGS1 (0.42) CA1CA2HPGDPTGS1TRPA1
SCHEMBL5693100 0.82 GABRA1 (0.44) GABRA1GABRB2TRPA1
SCHEMBL7525526 0.79 TRPV1 (0.36) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL5692101 0.78 ALOX5 (0.34) GABRA1GABRB2TRPA1ALDH1A1DHFR
SCHEMBL6676515 0.78 SCN2A (0.43) GABRA1GABRB2GSRCA1CA2
SCHEMBL6680819 0.76 PTGS1 (0.39) PTGS1TRPA1ALDH1A1
SCHEMBL5692254 0.76 NPC1 (0.36) HPGDMAPK1
SCHEMBL9223934 0.75 POLB (0.42) HPGDMAPTMEN1ALDH1A1ALOX15
SCHEMBL7517733 0.73 TRPA1 (0.34) TRPA1MAPTALDH1A1MAPK1HSD17B10
SCHEMBL27455332 0.73 GABRA1 (0.39) GABRA1GABRB1GABRB2GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1468692-A2 Use of 2,6-di-alkyl-4-silyl-phenols for treating xanthoma MERRELL PHARMACEUTICALS INC. (US) 2004-10-20 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
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
US-5155250-A 2,6-DI-ALKYL-4-SILYL-PHENOLS AS ANTIATHEROSCEROTIC AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1992-10-13 US 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