SCHEMBL27308722

SCHEMBL27308722

O=c1ccc(C2CCC2C2CC23CCC(c2cccc(=O)c(O)c2)CC3)ccc1O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ QDPR P09417 3/20 0.32
▸ ACMSD Q8TDX5 1/20 0.30
▸ ESR2 Q92731 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
SCHEMBL23250752 0.72 HDAC4 (0.53) HDAC4HDAC2HDAC8QDPRACMSD
SCHEMBL27304361 0.71 HDAC4 (0.41) HDAC4HDAC2HDAC8QDPRESR2
SCHEMBL27304483 0.70 HDAC4 (0.39) HDAC4HDAC2HDAC8QDPR
SCHEMBL23250714 0.69 HDAC4 (0.45) HDAC4HDAC2HDAC8QDPRESR2
SCHEMBL23258718 0.69 HDAC4 (0.45) HDAC4HDAC2HDAC8QDPRESR2
SCHEMBL21471548 0.69 HDAC4 (0.74) HDAC4HDAC2HDAC8QDPRACMSD
SCHEMBL21471547 0.68 HDAC4 (0.72) HDAC4HDAC2HDAC8QDPRACMSD
SCHEMBL23258566 0.65 QDPR (0.62) HDAC4HDAC2HDAC8QDPR
SCHEMBL23258680 0.65 HDAC4 (0.54) HDAC4HDAC2HDAC8QDPRACMSD
SCHEMBL27304482 0.65 HDAC4 (0.44) HDAC4HDAC2HDAC8QDPRACMSD

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-2024073131-A2 METHOD OF TREATING NEURODEGENERATIVE DISEASES THE BOARD OF TRUSTEES OF THE UNIVESITY OF ILLINOIS (US) 2024-04-04 — — WO disclosed
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