SCHEMBL31576812

SCHEMBL31576812

CC(=O)OC1=C(CC=C(C)C)C(O)=C(C(=O)CC(C)C)C(=O)C1(CC=C(C)C)CC=C(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.64
▸ KDM4E B2RXH2 2/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ AKR1B10 O60218 1/20 0.64
▸ PTPN1 P18031 2/20 0.35
▸ HIF1A Q16665 4/20 0.32
▸ EPAS1 Q99814 4/20 0.32
▸ CYP3A4 P08684 3/20 0.32
▸ PTGES O14684 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ SIRT2 Q8IXJ6 2/20 0.32
▸ SIRT1 Q96EB6 2/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ DLAT P10515 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ ACHE P22303 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
SCHEMBL819253 0.85 ALOX5 (0.78) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL8667736 0.84 ALOX5 (0.69) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL29351523 0.79 ALOX5 (0.61) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL26444116 0.79 ALOX5 (0.51) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL9773779 0.78 ALOX5 (1.00) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL6125220 0.78 ALOX5 (1.00) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL144835 0.78 ALOX5 (1.00) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL6125218 0.78 ALOX5 (1.00) ALOX5KDM4EMEN1KMT2AAKR1B10
Lupulone SCHEMBL2431439 0.78 ALOX5 (0.67) ALOX5KDM4EMEN1KMT2AAKR1B10
Ammonia Solution, Strong SCHEMBL21582009 0.77 ALOX5 (0.98) ALOX5KDM4EMEN1KMT2AAKR1B10

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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