SCHEMBL8944903

SCHEMBL8944903

CCCCCCCCCCCC[Si](C)(C)CSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
PTGS1 P23219 5/20 0.41
PTGS2 P35354 4/20 0.40
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
NR5A2 O00482 1/20 0.36
NR5A1 Q13285 1/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
TYR P14679 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
VCAM1 P19320 3/20 0.36
GAA P10253 2/20 0.35
KMT2A Q03164 1/20 0.35
F2R P25116 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL9190111 0.85 ALOX15 (0.55) HPNMAPTALOX15SIRT5PTGS1
SCHEMBL9190675 0.82 HPN (0.46) HPNMAPTALOX15SIRT5PTGS1
SCHEMBL8577784 0.82 HPN (0.46) HPNMAPTALOX15SIRT5PTGS1
SCHEMBL8496245 0.80 ALOX15 (0.50) HPNMAPTALOX15SIRT5PTGS1
SCHEMBL8491962 0.80 ALOX15 (0.50) HPNMAPTALOX15SIRT5PTGS1
SCHEMBL9504479 0.80 ALOX15 (0.50) HPNMAPTALOX15SIRT5PTGS1
SCHEMBL11555358 0.80 ALOX15 (0.50) HPNMAPTALOX15SIRT5PTGS1
SCHEMBL8577973 0.79 ALOX15 (0.49) HPNMAPTALOX15SIRT5PTGS1
SCHEMBL9504471 0.79 ALOX15 (0.52) HPNMAPTALOX15SIRT5PTGS1
SCHEMBL9007350 0.78 ALOX5 (0.39) MAPTALOX15PTGS2TYRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5155250-A 2,6-DI-ALKYL-4-SILYL-PHENOLS AS ANTIATHEROSCEROTIC AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1992-10-13 US claimed
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