SCHEMBL31576817

SCHEMBL31576817

CC(C)=CCC1(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C(O)C(C(=O)C(C)C)=C1O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.65
▸ ACHE P22303 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ AKR1B10 O60218 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PTGES O14684 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ DLAT P10515 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ XDH P47989 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
SCHEMBL2346992 0.88 ALOX5 (0.60) ALOX5ACHEKDM4EMEN1AKR1B10
SCHEMBL10931619 0.87 ALOX5 (0.59) ALOX5ACHEKDM4EMEN1AKR1B10
SCHEMBL10926135 0.87 ALOX5 (0.59) ALOX5ACHEKDM4EMEN1AKR1B10
SCHEMBL316240 0.86 ALOX5 (0.56) ALOX5ACHEKDM4EMEN1AKR1B10
SCHEMBL30307809 0.85 ALOX5 (0.78) ALOX5ACHEKDM4EMEN1AKR1B10
SCHEMBL23178108 0.79 ALOX5 (0.54) ALOX5ACHEKDM4EMEN1AKR1B10
SCHEMBL6270487 0.77 ALOX5 (0.59) ALOX5ACHEKDM4EMEN1AKR1B10
SCHEMBL26444140 0.77 ALOX5 (0.49) ALOX5ACHEKDM4EMEN1AKR1B10
SCHEMBL817774 0.75 ALOX5 (0.53) ALOX5ACHEKDM4EMEN1AKR1B10
SCHEMBL13649117 0.74 ALOX5 (0.55) ALOX5ACHEKDM4EMEN1AKR1B10

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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