SCHEMBL31576804

SCHEMBL31576804

CC(C)=CCC1(CC=C(C)C)C(=O)CC(O)=C(C(=O)CC(C)C)C1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ AKR1B10 O60218 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ ACHE P22303 1/20 0.36
▸ CYP3A4 P08684 2/20 0.34
▸ HIF1A Q16665 1/20 0.30
▸ EPAS1 Q99814 1/20 0.30
▸ PTGES O14684 2/20 0.30
▸ NR1I2 O75469 1/20 0.30
▸ DLAT P10515 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ SIRT2 Q8IXJ6 1/20 0.30
▸ SIRT1 Q96EB6 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
SCHEMBL29351523 0.82 ALOX5 (0.61) ALOX5KDM4EMEN1AKR1B10KMT2A
SCHEMBL31576826 0.80 ALOX5 (0.55) ALOX5KDM4EMEN1AKR1B10KMT2A
SCHEMBL6275233 0.77 ALOX5 (0.53) ALOX5KDM4EMEN1AKR1B10KMT2A
SCHEMBL819253 0.75 ALOX5 (0.78) ALOX5KDM4EMEN1AKR1B10KMT2A
SCHEMBL8667736 0.74 ALOX5 (0.69) ALOX5KDM4EMEN1AKR1B10KMT2A
SCHEMBL12729054 0.74 ALOX5 (0.73) ALOX5KDM4EMEN1AKR1B10KMT2A
Lupulone SCHEMBL2431439 0.73 ALOX5 (0.67) ALOX5KDM4EMEN1AKR1B10KMT2A
SCHEMBL31576812 0.71 ALOX5 (0.64) ALOX5KDM4EMEN1AKR1B10KMT2A
SCHEMBL6274814 0.71 ALOX5 (0.44) ALOX5KDM4EMEN1AKR1B10KMT2A
SCHEMBL6269718 0.71 ALOX5 (0.44) ALOX5KDM4EMEN1AKR1B10KMT2A

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
WO-2025104281-A1 HOP DERIVED COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES CAUSED BY CORONAVIRUSES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2025-05-22 — — WO disclosed
EP-4556004-A1 HOP DERIVED COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES CAUSED BY CORONAVIRUSES Centre National de la Recherche Scientifique (FR) 2025-05-21 — — EP disclosed
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