SCHEMBL28707656

SCHEMBL28707656

CC(C)(C)OC(=O)COCCN=[N+]=[N-]

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 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
SCHEMBL14129328 0.97 HDAC8 (0.31) HDAC8
SCHEMBL13799310 0.97 HDAC8 (0.31) HDAC8
SCHEMBL25533026 0.97 HDAC8 (0.31) HDAC8
SCHEMBL20573620 0.97 HDAC8 (0.31) HDAC8
SCHEMBL16408435 0.97 HDAC8 (0.31) HDAC8
SCHEMBL18530440 0.94 HDAC8 (0.32) HDAC8
SCHEMBL25272001 0.90 HDAC8 (0.33) HDAC8
SCHEMBL28497443 0.89 HDAC8 (0.33) HDAC8
SCHEMBL30864449 0.88
SCHEMBL31739294 0.87 CES2 (0.35) HDAC8

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
CN-110143961-B Pyrrolo-pyridone bifunctional molecular compound based on VHL ligand-induced BET degradation 江苏省中医药研究院 2022-03-29 CN disclosed
CN-110204543-B Pyrrolopyridinone bifunctional molecular compound based on Cereblon ligand induced BET degradation 江苏省中医药研究院 2022-03-29 CN disclosed