SCHEMBL9195302

SCHEMBL9195302

CCCCc1cc(CC[Si](C)(C)CCc2cc(CCCC)c(O)c(CCCC)c2)cc(CCCC)c1O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TYR P14679 2/20 0.41
PTGS2 P35354 6/20 0.40
CYP3A4 P08684 2/20 0.40
ALOX5 P09917 5/20 0.39
EGFR P00533 1/20 0.38
MAOA P21397 1/20 0.36
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL5692024 0.89 HTT (0.43) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL9192220 0.89 DHFR (0.42) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL201692 0.85 NPC1 (0.57) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL9192801 0.84 HTT (0.42) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL9192781 0.84 HTT (0.42) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL9187478 0.83 DHFR (0.41) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL6314093 0.83 HTT (0.50) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL28031372 0.83 NPC1 (0.55) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL28215541 0.83 NPC1 (0.55) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL27977349 0.83 NPC1 (0.55) HTTNPC1HPGDMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0464844-B1 Novel bis (4-(2,6-di-alkyl)phenol)silane derivatives as antiatherosclerotic agents and as antioxidants MERRELL DOW PHARMA (US) 1995-12-27 EP disclosed
US-5304668-A Bis-[4-(2,6-di-alkyl)phenolisilane derivatives as antiatherosclerotic agents MERRELL DOW PHARMACEUTICALS (US) 1994-04-19 US disclosed
US-5281738-A Anticholesterol agents MERRELL DOW PHARMACEUTICALS INC. (US) 1994-01-25 US disclosed
EP-0464844-A1 Novel bis (4-(2,6-di-alkyl)phenol)silane derivatives as antiatherosclerotic agents and as antioxidants MERRELL DOW PHARMACEUTICALS INC. (US) 1992-01-08 EP disclosed