SCHEMBL8932122

SCHEMBL8932122

C[Si](C)(C)c1ccc(F)c(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ASPH Q12797 1/20 0.43
KDM8 Q8N371 1/20 0.43
ACHE P22303 1/20 0.42
CYP3A4 P08684 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
TTR P02766 1/20 0.39
ALB P02768 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
SCHEMBL8932112 0.81 ACHE (0.56) ACHECES2CES1
SCHEMBL12188075 0.77 KDM4E (0.57) KDM4EACHECYP3A4HPGDKEAP1
SCHEMBL28514216 0.77 CES2 (0.39) KDM4EASPHKDM8ACHECES2
SCHEMBL28515999 0.74 ALDH1A1 (0.55) KDM4ECYP3A4HPGD
SCHEMBL9730784 0.74 RXRB (0.47) KDM4EACHEHPGD
SCHEMBL87104 0.74 CSNK2A1 (0.61) KDM4ECES2CES1
SCHEMBL31011348 0.74 CSNK2A1 (0.61) KDM4ECES2CES1
SCHEMBL5833638 0.73 ACE2 (0.44) KDM4EACHEHPGDLMNA
SCHEMBL115334 0.73 CES2 (0.71) KDM4EASPHKDM8CYP3A4CES2
SCHEMBL5597538 0.72 CSNK2A1 (0.59) KDM4ECES2CES1

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
CN-1043575-C Silylated acetylcholinesterase inhibitors MERRELL DOW PHARMA (US) 1999-06-09 CN disclosed
EP-0684951-B1 SILYLATED ACETYLCHOLINESTERASE INHIBITORS MERRELL PHARMA INC (US) 1997-05-07 EP disclosed
US-5523442-A TREATING ALZHEIMER'S, DEMENTIA MERRELL PHARMACEUTICALS INC. (US) 1996-06-04 US disclosed
EP-0684951-A1 SILYLATED ACETYLCHOLINESTERASE INHIBITORS. MERRELL DOW PHARMA (US) 1995-12-06 EP disclosed
WO-1994019356-A1 SILYLATED ACETYLCHOLINESTERASE INHIBITORS MERRELL DOW PHARMACEUTICALS INC. (US) 1994-09-01 WO disclosed
EP-0611769-A1 Silylated acetylcholinesterase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1994-08-24 EP disclosed