SCHEMBL2026517

SCHEMBL2026517

CCOCC(C)N(N=[N+]=[N-])C(=O)OC(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 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
SCHEMBL2026520 1.00 HDAC1 (0.30) HDAC1HDAC2HDAC6
SCHEMBL2027234 0.86
SCHEMBL2027235 0.86
SCHEMBL2026512 0.81
SCHEMBL17610528 0.79 USP30 (0.31)
SCHEMBL8238574 0.76 HDAC6 (0.36) HDAC1HDAC2HDAC6
SCHEMBL873988 0.75
SCHEMBL873989 0.75
SCHEMBL16447368 0.74
SCHEMBL4973665 0.74 CTSK (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516434-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2012-10-31 EP disclosed
WO-2011079051-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-30 WO disclosed