SCHEMBL31576810

SCHEMBL31576810

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ AKR1B10 O60218 1/20 0.39
▸ CYP3A4 P08684 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ DHODH Q02127 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CDC25A P30304 1/20 0.36
▸ CDC25B P30305 1/20 0.36
▸ RPS6KA3 P51812 1/20 0.36
▸ GLO1 Q04760 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.36
▸ MAOB P27338 2/20 0.34
▸ PTGES O14684 2/20 0.33
▸ NR1I2 O75469 1/20 0.33

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
SCHEMBL31576804 0.71 ALOX5 (0.51) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL18324946 0.71 ALOX5 (0.48) ALOX5KDM4EMEN1KMT2AAKR1B10
Hulupinic Acid SCHEMBL30211330 0.69 ALOX5 (0.44) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL31576811 0.69 RIPK2 (0.36) ALOX5
SCHEMBL31576807 0.68 MEN1 (0.54) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL26468487 0.66 ALOX5 (0.55) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL13922241 0.66 ALOX5 (0.52) ALOX5KDM4EMEN1KMT2AAKR1B10
Lupulone SCHEMBL2431439 0.65 ALOX5 (0.67) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL29405771 0.65 ALOX5 (0.57) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL31576822 0.65 ALOX5 (0.53) 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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