SCHEMBL27304483

SCHEMBL27304483

O=c1ccc(C2CC3CCC(C45CCC(CC(c6cccc(=O)c(O)c6)C4)O5)(C2)O3)ccc1O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ QDPR P09417 1/20 0.30
▸ ALOX5 P09917 1/20 0.30
▸ PTGS2 P35354 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
SCHEMBL23258898 0.79 HDAC4 (0.32) HDAC4HDAC2HDAC8
SCHEMBL27304482 0.73 HDAC4 (0.44) HDAC4HDAC2HDAC8QDPRALOX5
SCHEMBL27304361 0.72 HDAC4 (0.41) HDAC4HDAC2HDAC8QDPR
SCHEMBL23250778 0.72 HDAC4 (0.47) HDAC4HDAC2HDAC8QDPRALOX5
SCHEMBL27308722 0.70 HDAC4 (0.41) HDAC4HDAC2HDAC8QDPR
SCHEMBL23258680 0.69 HDAC4 (0.54) HDAC4HDAC2HDAC8QDPR
SCHEMBL23250752 0.68 HDAC4 (0.53) HDAC4HDAC2HDAC8QDPR
SCHEMBL23250714 0.67 HDAC4 (0.45) HDAC4HDAC2HDAC8QDPR
SCHEMBL23258718 0.67 HDAC4 (0.45) HDAC4HDAC2HDAC8QDPR
SCHEMBL23250681 0.67 ESR2 (0.37) HDAC4HDAC2HDAC8QDPRALOX5

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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