SCHEMBL2590323

SCHEMBL2590323

CC(C)(C)C1OCC(=O)N(C(=O)O)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.38
PSMB5 P28074 1/20 0.31
CYP3A4 P08684 2/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RIPK1 Q13546 1/20 0.31
NAAA Q02083 3/20 0.30

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
SCHEMBL30675380 0.80 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2RIPK1
SCHEMBL20974733 0.80 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2RIPK1
SCHEMBL2578619 0.79 NAAA (0.38) NAAA
SCHEMBL4516522 0.78 SMYD2 (0.41) SMYD2CYP3A4HTTSMN1; SMN2RIPK1
SCHEMBL4516524 0.78 SMYD2 (0.41) SMYD2CYP3A4HTTSMN1; SMN2RIPK1
SCHEMBL27006664 0.76 SMYD2 (0.38) SMYD2PSMB5CYP3A4HTTSMN1; SMN2
SCHEMBL29246124 0.75 SMYD2 (0.35) SMYD2RIPK1
SCHEMBL20974903 0.75 SMYD2 (0.35) SMYD2RIPK1
SCHEMBL29246122 0.75 SMYD2 (0.35) SMYD2RIPK1
SCHEMBL27006658 0.75 SMYD2 (0.38) SMYD2PSMB5CYP3A4HTTSMN1; 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 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