SCHEMBL25844389

SCHEMBL25844389

CC/C(C)=C\N(C(=O)OC(C)(C)C)C(C)CC=N

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL25846295 0.69 HDAC6 (0.34) HDAC6
SCHEMBL27451227 0.69 HDAC6 (0.33) HDAC6
SCHEMBL14023363 0.64 CTSK (0.35) HDAC6
SCHEMBL27733732 0.63 CTSK (0.33) HDAC6
SCHEMBL12324256 0.62 CTSK (0.33) HDAC6
SCHEMBL12323593 0.62 CTSK (0.33) HDAC6
SCHEMBL12323588 0.62 CTSK (0.33) HDAC6
SCHEMBL16284720 0.61 HDAC6 (0.36) HDAC6
SCHEMBL20505752 0.61 HDAC6 (0.34) HDAC6
SCHEMBL5402224 0.61 MAPK1 (0.37) HDAC6

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
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed