SCHEMBL2590322

SCHEMBL2590322

CC(C)(C)OC(=O)N1C(=O)COC[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.40
GLA P06280 1/20 0.35
KLK7 P49862 7/20 0.35
KLK5 Q9Y337 5/20 0.33
PDK4 Q16654 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
PRSS1 P07477 2/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
RIPK1 Q13546 1/20 0.32
CYP3A4 P08684 1/20 0.32
HTT P42858 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
SCHEMBL4516524 0.89 SMYD2 (0.41) SMYD2SMN1; SMN2RIPK1CYP3A4HTT
SCHEMBL4516522 0.89 SMYD2 (0.41) SMYD2SMN1; SMN2RIPK1CYP3A4HTT
SCHEMBL1150304 0.84 SMYD2 (0.38) SMYD2KLK7KLK5PDK4GPR119
SCHEMBL1150302 0.84 SMYD2 (0.38) SMYD2KLK7KLK5PDK4GPR119
SCHEMBL16584506 0.84 SMYD2 (0.38) SMYD2KLK7KLK5PDK4GPR119
SCHEMBL28717400 0.82 GLA (0.38) GLASMN1; SMN2GAA
SCHEMBL554798 0.80 IL1B (0.38) SMYD2KLK7GPR119KDM4EPKM
SCHEMBL554334 0.80 IL1B (0.38) SMYD2KLK7GPR119KDM4EPKM
SCHEMBL554333 0.80 IL1B (0.38) SMYD2KLK7GPR119KDM4EPKM
SCHEMBL30742967 0.80 SMYD2 (0.38) SMYD2PDK4GPR119KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048878-B2 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-11-01 US disclosed