SCHEMBL7067181

SCHEMBL7067181

CC1CC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC(C)(C)C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.39
KLK7 P49862 6/20 0.36
GPR119 Q8TDV5 1/20 0.34
KLK5 Q9Y337 5/20 0.34
STS P08842 1/20 0.34
PDK4 Q16654 1/20 0.34
USP30 Q70CQ3 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
SCN9A Q15858 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32

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
SCHEMBL30683282 1.00 SMYD2 (0.39) SMYD2KLK7GPR119KLK5STS
SCHEMBL7518554 1.00 SMYD2 (0.39) SMYD2KLK7GPR119KLK5STS
SCHEMBL26618886 0.89 SMYD2 (0.40) SMYD2
SCHEMBL6481524 0.88 SMYD2 (0.40) SMYD2KLK7GPR119KLK5STS
SCHEMBL31526761 0.86 SMYD2 (0.37) SMYD2KLK7GPR119KLK5STS
SCHEMBL31526819 0.86 SMYD2 (0.37) SMYD2KLK7GPR119KLK5STS
SCHEMBL16584658 0.85 SMYD2 (0.38) SMYD2KLK7GPR119KLK5STS
SCHEMBL16584659 0.85 SMYD2 (0.38) SMYD2KLK7GPR119KLK5STS
SCHEMBL9914215 0.84 SMYD2 (0.38) SMYD2KLK7GPR119KLK5STS
SCHEMBL12091005 0.84 SMYD2 (0.38) SMYD2KLK7GPR119KLK5STS

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-1314041-A2 SCREEN FOR GLUTAMATE REUPTAKE INHIBITORS, STIMULATORS, AND MODULATORS Annovis, Inc. (US) 2003-05-28 EP disclosed
WO-2002018941-A2 SCREEN FOR GLUTAMATE REUPTAKE INHIBITORS, STIMULATORS, AND MODULATORS ANNOVIS, INC. (US) 2002-03-07 WO disclosed
EP-0809624-A1 ALKYLCARBOXY AMINO ACIDS-MODULATORS OF THE KAINATE RECEPTOR Bearsden Bio, Inc. (US) 1997-12-03 EP disclosed
WO-1996025387-A1 ALKYLCARBOXY AMINO ACIDS-MODULATORS OF THE KAINATE RECEPTOR SYMPHONY PHARMACEUTICALS, INC. (US) 1996-08-22 WO disclosed